2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C14H16N6O2S — CID 118791144

IUPAC2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1csc(CCCNC(=O)c2cnc3nc(C)[nH]n3c2=O)n1
InChIInChI=1S/C14H16N6O2S/c1-8-7-23-11(17-8)4-3-5-15-12(21)10-6-16-14-18-9(2)19-20(14)13(10)22/h6-7H,3-5H2,1-2H3,(H,15,21)(H,16,18,19)
InChIKeyLRYQOJQXSXBOLT-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.85
Rot. Bonds5

About 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 118791144) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID118791144
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1csc(CCCNC(=O)c2cnc3nc(C)[nH]n3c2=O)n1
InChIInChI=1S/C14H16N6O2S/c1-8-7-23-11(17-8)4-3-5-15-12(21)10-6-16-14-18-9(2)19-20(14)13(10)22/h6-7H,3-5H2,1-2H3,(H,15,21)(H,16,18,19)
InChIKeyLRYQOJQXSXBOLT-UHFFFAOYSA-N
XLogP0.85
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
CID 110467553
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxochromene-3-carboxamide
CID 110440714
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70770649
4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 118796056
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 83883587

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 118791144) is 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1csc(CCCNC(=O)c2cnc3nc(C)[nH]n3c2=O)n1.
What is the InChIKey of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LRYQOJQXSXBOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-8-7-23-11(17-8)4-3-5-15-12(21)10-6-16-14-18-9(2)19-20(14)13(10)22/h6-7H,3-5H2,1-2H3,(H,15,21)(H,16,18,19).
What are the key properties of 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 118791144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).