N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H21N5O2S — CID 164636747

IUPACN-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2cc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)nc12
InChIInChI=1S/C18H21N5O2S/c1-12-3-2-5-23-8-15(20-17(12)23)18(25)21-14-4-6-22(9-16(14)24)7-13-10-26-11-19-13/h2-3,5,8,10-11,14,16,24H,4,6-7,9H2,1H3,(H,21,25)/t14-,16-/m0/s1
InChIKeyCXAXLFVMWPTFIP-HOCLYGCPSA-N
MW371.47 g/mol
LogP1.46
Rot. Bonds4

About N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 164636747) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID164636747
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2cc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)nc12
InChIInChI=1S/C18H21N5O2S/c1-12-3-2-5-23-8-15(20-17(12)23)18(25)21-14-4-6-22(9-16(14)24)7-13-10-26-11-19-13/h2-3,5,8,10-11,14,16,24H,4,6-7,9H2,1H3,(H,21,25)/t14-,16-/m0/s1
InChIKeyCXAXLFVMWPTFIP-HOCLYGCPSA-N
XLogP1.46
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 164636747) is N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccn2cc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)nc12.
What is the InChIKey of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CXAXLFVMWPTFIP-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-3-2-5-23-8-15(20-17(12)23)18(25)21-14-4-6-22(9-16(14)24)7-13-10-26-11-19-13/h2-3,5,8,10-11,14,16,24H,4,6-7,9H2,1H3,(H,21,25)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 164636747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).