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

C23H31N7O2S — CID 150336455

IUPACN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3C)s2)ccn1
InChIInChI=1S/C23H31N7O2S/c1-14(2)20(31)26-18-11-15(9-10-24-18)7-8-16-13-25-22(33-16)28-21(32)27-19-12-17(23(3,4)5)29-30(19)6/h9-14H,7-8H2,1-6H3,(H,24,26,31)(H2,25,27,28,32)
InChIKeyGQTRXOHBRWQEOC-UHFFFAOYSA-N
MW469.62 g/mol
LogP4.59
Rot. Bonds7

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

N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide (PubChem CID 150336455) has the molecular formula C23H31N7O2S and a molecular weight of 469.62 g/mol. Its IUPAC name is N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide
PubChem CID150336455
Molecular FormulaC23H31N7O2S
Molecular Weight469.62 g/mol
Exact Mass469.23
IUPAC NameN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3C)s2)ccn1
InChIInChI=1S/C23H31N7O2S/c1-14(2)20(31)26-18-11-15(9-10-24-18)7-8-16-13-25-22(33-16)28-21(32)27-19-12-17(23(3,4)5)29-30(19)6/h9-14H,7-8H2,1-6H3,(H,24,26,31)(H2,25,27,28,32)
InChIKeyGQTRXOHBRWQEOC-UHFFFAOYSA-N
XLogP4.59
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide (CID 150336455) is N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3C)s2)ccn1.
What is the InChIKey of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide?
The InChIKey is GQTRXOHBRWQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2S/c1-14(2)20(31)26-18-11-15(9-10-24-18)7-8-16-13-25-22(33-16)28-21(32)27-19-12-17(23(3,4)5)29-30(19)6/h9-14H,7-8H2,1-6H3,(H,24,26,31)(H2,25,27,28,32).
What are the key properties of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide?
N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 469.62 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 150336455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).