(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H23N5OS — CID 95739307

IUPAC(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN(c3nccs3)C1)C2
InChIInChI=1S/C17H23N5OS/c1-12-9-22-11-14(4-5-15(22)19-12)20-16(23)13-3-2-7-21(10-13)17-18-6-8-24-17/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H,20,23)/t13-,14-/m0/s1
InChIKeySOKMHHLTBISXES-KBPBESRZSA-N
MW345.47 g/mol
LogP2.00
Rot. Bonds3

About (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 95739307) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID95739307
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN(c3nccs3)C1)C2
InChIInChI=1S/C17H23N5OS/c1-12-9-22-11-14(4-5-15(22)19-12)20-16(23)13-3-2-7-21(10-13)17-18-6-8-24-17/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H,20,23)/t13-,14-/m0/s1
InChIKeySOKMHHLTBISXES-KBPBESRZSA-N
XLogP2.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739298
(3S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739299
2-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 86786497
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
(3S)-1-cyclopentyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-5-oxopyrrolidine-3-carboxamide
CID 95137842
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 167883559
(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 95771455
(2S)-1-benzyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95766087
1-(cyclopropylmethyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 86772669
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765998
(2S)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765991
2,5-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136799

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 95739307) is (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN(c3nccs3)C1)C2.
What is the InChIKey of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is SOKMHHLTBISXES-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-9-22-11-14(4-5-15(22)19-12)20-16(23)13-3-2-7-21(10-13)17-18-6-8-24-17/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H,20,23)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95739307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).