N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C10H10N6O3S — CID 83093407

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cnc3n(c2=O)CCS3)n1
InChIInChI=1S/C10H10N6O3S/c1-19-9-13-8(14-15-9)12-6(17)5-4-11-10-16(7(5)18)2-3-20-10/h4H,2-3H2,1H3,(H2,12,13,14,15,17)
InChIKeyBVNDHGSBWMQTKA-UHFFFAOYSA-N
MW294.30 g/mol
LogP-0.27
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 83093407) has the molecular formula C10H10N6O3S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID83093407
Molecular FormulaC10H10N6O3S
Molecular Weight294.30 g/mol
Exact Mass294.05
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cnc3n(c2=O)CCS3)n1
InChIInChI=1S/C10H10N6O3S/c1-19-9-13-8(14-15-9)12-6(17)5-4-11-10-16(7(5)18)2-3-20-10/h4H,2-3H2,1H3,(H2,12,13,14,15,17)
InChIKeyBVNDHGSBWMQTKA-UHFFFAOYSA-N
XLogP-0.27
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 83093407) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1n[nH]c(NC(=O)c2cnc3n(c2=O)CCS3)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BVNDHGSBWMQTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3S/c1-19-9-13-8(14-15-9)12-6(17)5-4-11-10-16(7(5)18)2-3-20-10/h4H,2-3H2,1H3,(H2,12,13,14,15,17).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 294.30 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 83093407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).