methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate

C20H23N5O3S — CID 44608008

IUPACmethyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate
SMILESCOC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCC(O)CC2)n[nH]1
InChIInChI=1S/C20H23N5O3S/c1-28-20(27)21-12-14-11-16(24-23-14)17-18(25-9-7-15(26)8-10-25)22-19(29-17)13-5-3-2-4-6-13/h2-6,11,15,26H,7-10,12H2,1H3,(H,21,27)(H,23,24)
InChIKeyGFUMDRBVYNGSBP-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.02
Rot. Bonds5

About methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate

methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate (PubChem CID 44608008) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate
PubChem CID44608008
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Namemethyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate
SMILESCOC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCC(O)CC2)n[nH]1
InChIInChI=1S/C20H23N5O3S/c1-28-20(27)21-12-14-11-16(24-23-14)17-18(25-9-7-15(26)8-10-25)22-19(29-17)13-5-3-2-4-6-13/h2-6,11,15,26H,7-10,12H2,1H3,(H,21,27)(H,23,24)
InChIKeyGFUMDRBVYNGSBP-UHFFFAOYSA-N
XLogP3.02
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 10180587
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CID 21354763
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CID 21354778
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CID 21354786
CID 21354786
CID 142076964
CID 142076964
CID 142076985
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CID 158538099
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CID 9968679
CID 9968679

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate (CID 44608008) is methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate is COC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCC(O)CC2)n[nH]1.
What is the InChIKey of methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate?
The InChIKey is GFUMDRBVYNGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-28-20(27)21-12-14-11-16(24-23-14)17-18(25-9-7-15(26)8-10-25)22-19(29-17)13-5-3-2-4-6-13/h2-6,11,15,26H,7-10,12H2,1H3,(H,21,27)(H,23,24).
What are the key properties of methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate?
methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate has a molecular weight of 413.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 44608008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).