N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide

C18H16N6O2S — CID 90508287

IUPACN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)c3cnn(-c4ccccc4)n3)csc2n1
InChIInChI=1S/C18H16N6O2S/c1-12-9-16(25)23-14(11-27-18(23)21-12)7-8-19-17(26)15-10-20-24(22-15)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,19,26)
InChIKeyMUDXJKVIIFPIGT-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide (PubChem CID 90508287) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
PubChem CID90508287
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)c3cnn(-c4ccccc4)n3)csc2n1
InChIInChI=1S/C18H16N6O2S/c1-12-9-16(25)23-14(11-27-18(23)21-12)7-8-19-17(26)15-10-20-24(22-15)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,19,26)
InChIKeyMUDXJKVIIFPIGT-UHFFFAOYSA-N
XLogP1.62
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
CID 90508334
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508336
4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508372
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90508297
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide
CID 90508343
2-chloro-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508361
3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508378
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90508411
4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508376
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122688
3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508473

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide (CID 90508287) is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide is Cc1cc(=O)n2c(CCNC(=O)c3cnn(-c4ccccc4)n3)csc2n1.
What is the InChIKey of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is MUDXJKVIIFPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-12-9-16(25)23-14(11-27-18(23)21-12)7-8-19-17(26)15-10-20-24(22-15)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,19,26).
What are the key properties of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide?
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 90508287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).