(6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H19N5OS — CID 97075005

IUPAC(6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1C[C@@H](C(=O)N[C@H](c1ccccc1)c1nccs1)CC2
InChIInChI=1S/C18H19N5OS/c1-12-21-22-15-8-7-14(11-23(12)15)17(24)20-16(18-19-9-10-25-18)13-5-3-2-4-6-13/h2-6,9-10,14,16H,7-8,11H2,1H3,(H,20,24)/t14-,16+/m0/s1
InChIKeyKIWXTHPAMYZDOO-GOEBONIOSA-N
MW353.45 g/mol
LogP2.51
Rot. Bonds4

About (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97075005) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97075005
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1C[C@@H](C(=O)N[C@H](c1ccccc1)c1nccs1)CC2
InChIInChI=1S/C18H19N5OS/c1-12-21-22-15-8-7-14(11-23(12)15)17(24)20-16(18-19-9-10-25-18)13-5-3-2-4-6-13/h2-6,9-10,14,16H,7-8,11H2,1H3,(H,20,24)/t14-,16+/m0/s1
InChIKeyKIWXTHPAMYZDOO-GOEBONIOSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97075005) is (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2n1C[C@@H](C(=O)N[C@H](c1ccccc1)c1nccs1)CC2.
What is the InChIKey of (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is KIWXTHPAMYZDOO-GOEBONIOSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-21-22-15-8-7-14(11-23(12)15)17(24)20-16(18-19-9-10-25-18)13-5-3-2-4-6-13/h2-6,9-10,14,16H,7-8,11H2,1H3,(H,20,24)/t14-,16+/m0/s1.
What are the key properties of (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97075005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).