1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide

C12H13N5O2S — CID 126900922

IUPAC1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESCc1ncsc1C(=O)N1CC(n2cc(C(N)=O)cn2)C1
InChIInChI=1S/C12H13N5O2S/c1-7-10(20-6-14-7)12(19)16-4-9(5-16)17-3-8(2-15-17)11(13)18/h2-3,6,9H,4-5H2,1H3,(H2,13,18)
InChIKeyMZFQFCLUNNKSTR-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.44
Rot. Bonds3

About 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide

1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126900922) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126900922
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESCc1ncsc1C(=O)N1CC(n2cc(C(N)=O)cn2)C1
InChIInChI=1S/C12H13N5O2S/c1-7-10(20-6-14-7)12(19)16-4-9(5-16)17-3-8(2-15-17)11(13)18/h2-3,6,9H,4-5H2,1H3,(H2,13,18)
InChIKeyMZFQFCLUNNKSTR-UHFFFAOYSA-N
XLogP0.44
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide (CID 126900922) is 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide is Cc1ncsc1C(=O)N1CC(n2cc(C(N)=O)cn2)C1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is MZFQFCLUNNKSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-7-10(20-6-14-7)12(19)16-4-9(5-16)17-3-8(2-15-17)11(13)18/h2-3,6,9H,4-5H2,1H3,(H2,13,18).
What are the key properties of 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 291.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126900922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).