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

C11H11N5O2S — CID 54897071

IUPAC5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H11N5O2S/c17-9(12-3-7-4-14-15-5-7)8-6-13-11-16(10(8)18)1-2-19-11/h4-6H,1-3H2,(H,12,17)(H,14,15)
InChIKeyZHFPQUGESJLPCP-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.00
Rot. Bonds3

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

5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 54897071) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID54897071
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H11N5O2S/c17-9(12-3-7-4-14-15-5-7)8-6-13-11-16(10(8)18)1-2-19-11/h4-6H,1-3H2,(H,12,17)(H,14,15)
InChIKeyZHFPQUGESJLPCP-UHFFFAOYSA-N
XLogP0.00
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-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-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472838
N-isopropyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135541124
N,N-diethyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472826
6-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517186
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 31849309
2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-propylacetamide
CID 135472841
5-Allyl-6-ethylsulfanyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 129877529
6,7-Dihydropyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CID 15337421
5-oxo-N-(1H-pyrazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43429645
5-oxo-N-(1H-pyrazol-4-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43430746
N,N-dimethyl-2-(2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl)acetamide
CID 44008874
N,N-diethyl-2-(2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl)acetamide
CID 44008875

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 54897071) is 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1cn[nH]c1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ZHFPQUGESJLPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c17-9(12-3-7-4-14-15-5-7)8-6-13-11-16(10(8)18)1-2-19-11/h4-6H,1-3H2,(H,12,17)(H,14,15).
What are the key properties of 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 54897071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).