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

C10H10N6OS — CID 2111650

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC3=NCCS3)nn12
InChIInChI=1S/C10H10N6OS/c1-6-2-3-11-9-13-7(15-16(6)9)8(17)14-10-12-4-5-18-10/h2-3H,4-5H2,1H3,(H,12,14,17)
InChIKeyORNPFKPINMNCGQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.27
Rot. Bonds1

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2111650) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2111650
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC3=NCCS3)nn12
InChIInChI=1S/C10H10N6OS/c1-6-2-3-11-9-13-7(15-16(6)9)8(17)14-10-12-4-5-18-10/h2-3H,4-5H2,1H3,(H,12,14,17)
InChIKeyORNPFKPINMNCGQ-UHFFFAOYSA-N
XLogP0.27
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2111650) is N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC3=NCCS3)nn12.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ORNPFKPINMNCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-6-2-3-11-9-13-7(15-16(6)9)8(17)14-10-12-4-5-18-10/h2-3H,4-5H2,1H3,(H,12,14,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 262.30 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2111650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).