N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate

C49H64N10O5S2 — CID 159500853

IUPACN-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
SMILESCC(C)C(=O)Nc1cc(CCc2cnc(CC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(CC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1
InChIInChI=1S/C25H33N5O2S.C24H31N5O3S/c1-16(2)24(32)28-22-11-17(9-10-26-22)7-8-20-15-27-23(33-20)14-19(31)12-18-13-21(25(3,4)5)29-30(18)6;1-6-32-23(31)27-21-11-16(9-10-25-21)7-8-19-15-26-22(33-19)14-18(30)12-17-13-20(24(2,3)4)28-29(17)5/h9-11,13,15-16H,7-8,12,14H2,1-6H3,(H,26,28,32);9-11,13,15H,6-8,12,14H2,1-5H3,(H,25,27,31)
InChIKeyLZJGACRVFHULAS-UHFFFAOYSA-N
MW937.25 g/mol
LogP8.58
Rot. Bonds18

About N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate

N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate (PubChem CID 159500853) has the molecular formula C49H64N10O5S2 and a molecular weight of 937.25 g/mol. Its IUPAC name is N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
PubChem CID159500853
Molecular FormulaC49H64N10O5S2
Molecular Weight937.25 g/mol
Exact Mass936.45
IUPAC NameN-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
SMILESCC(C)C(=O)Nc1cc(CCc2cnc(CC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(CC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1
InChIInChI=1S/C25H33N5O2S.C24H31N5O3S/c1-16(2)24(32)28-22-11-17(9-10-26-22)7-8-20-15-27-23(33-20)14-19(31)12-18-13-21(25(3,4)5)29-30(18)6;1-6-32-23(31)27-21-11-16(9-10-25-21)7-8-19-15-26-22(33-19)14-18(30)12-17-13-20(24(2,3)4)28-29(17)5/h9-11,13,15-16H,7-8,12,14H2,1-6H3,(H,26,28,32);9-11,13,15H,6-8,12,14H2,1-5H3,(H,25,27,31)
InChIKeyLZJGACRVFHULAS-UHFFFAOYSA-N
XLogP8.58
TPSA188.77 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.25
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate?
The IUPAC name of N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate (CID 159500853) is N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate?
The canonical SMILES for N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate is CC(C)C(=O)Nc1cc(CCc2cnc(CC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(CC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.
What is the InChIKey of N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate?
The InChIKey is LZJGACRVFHULAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S.C24H31N5O3S/c1-16(2)24(32)28-22-11-17(9-10-26-22)7-8-20-15-27-23(33-20)14-19(31)12-18-13-21(25(3,4)5)29-30(18)6;1-6-32-23(31)27-21-11-16(9-10-25-21)7-8-19-15-26-22(33-19)14-18(30)12-17-13-20(24(2,3)4)28-29(17)5/h9-11,13,15-16H,7-8,12,14H2,1-6H3,(H,26,28,32);9-11,13,15H,6-8,12,14H2,1-5H3,(H,25,27,31).
What are the key properties of N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate?
N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate has a molecular weight of 937.25 g/mol, XLogP of 8.58, 18 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;ethyl N-[4-[2-[2-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 159500853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).