(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H23N5O3S — CID 97070923

IUPAC(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCc3nnc(C)n3C2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C18H23N5O3S/c1-12-4-6-15(10-16(12)23-8-3-9-27(23,25)26)19-18(24)14-5-7-17-21-20-13(2)22(17)11-14/h4,6,10,14H,3,5,7-9,11H2,1-2H3,(H,19,24)/t14-/m0/s1
InChIKeyJVIAUBHGIMYASU-AWEZNQCLSA-N
MW389.48 g/mol
LogP1.64
Rot. Bonds3

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

(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97070923) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97070923
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCc3nnc(C)n3C2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C18H23N5O3S/c1-12-4-6-15(10-16(12)23-8-3-9-27(23,25)26)19-18(24)14-5-7-17-21-20-13(2)22(17)11-14/h4,6,10,14H,3,5,7-9,11H2,1-2H3,(H,19,24)/t14-/m0/s1
InChIKeyJVIAUBHGIMYASU-AWEZNQCLSA-N
XLogP1.64
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide
CID 119798756
ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-(oxan-4-yl)urea
CID 110623135
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]pentanamide
CID 120563198
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide
CID 110623141
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085450
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-methylpentanamide
CID 119798780
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136833032

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97070923) is (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(NC(=O)[C@H]2CCc3nnc(C)n3C2)cc1N1CCCS1(=O)=O.
What is the InChIKey of (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is JVIAUBHGIMYASU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12-4-6-15(10-16(12)23-8-3-9-27(23,25)26)19-18(24)14-5-7-17-21-20-13(2)22(17)11-14/h4,6,10,14H,3,5,7-9,11H2,1-2H3,(H,19,24)/t14-/m0/s1.
What are the key properties of (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97070923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).