5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H18N6OS — CID 26212452

IUPAC5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H18N6OS/c1-4-10-25(20-22-16(12-28-20)15-8-6-5-7-9-15)18(27)17-23-19-21-13(2)11-14(3)26(19)24-17/h4-9,11-12H,1,10H2,2-3H3
InChIKeyCRMMIJZKDKXUJD-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.70
Rot. Bonds5

About 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 26212452) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID26212452
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H18N6OS/c1-4-10-25(20-22-16(12-28-20)15-8-6-5-7-9-15)18(27)17-23-19-21-13(2)11-14(3)26(19)24-17/h4-9,11-12H,1,10H2,2-3H3
InChIKeyCRMMIJZKDKXUJD-UHFFFAOYSA-N
XLogP3.70
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 26212452) is 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is C=CCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CRMMIJZKDKXUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-4-10-25(20-22-16(12-28-20)15-8-6-5-7-9-15)18(27)17-23-19-21-13(2)11-14(3)26(19)24-17/h4-9,11-12H,1,10H2,2-3H3.
What are the key properties of 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 26212452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).