2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide

C15H16N4O2S — CID 68671050

IUPAC2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
SMILESCc1csc(C2CCCN2C(=O)c2cc(C(N)=O)ccn2)n1
InChIInChI=1S/C15H16N4O2S/c1-9-8-22-14(18-9)12-3-2-6-19(12)15(21)11-7-10(13(16)20)4-5-17-11/h4-5,7-8,12H,2-3,6H2,1H3,(H2,16,20)
InChIKeyDSBNFLMQZOBYKU-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.92
Rot. Bonds3

About 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide

2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide (PubChem CID 68671050) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
PubChem CID68671050
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
SMILESCc1csc(C2CCCN2C(=O)c2cc(C(N)=O)ccn2)n1
InChIInChI=1S/C15H16N4O2S/c1-9-8-22-14(18-9)12-3-2-6-19(12)15(21)11-7-10(13(16)20)4-5-17-11/h4-5,7-8,12H,2-3,6H2,1H3,(H2,16,20)
InChIKeyDSBNFLMQZOBYKU-UHFFFAOYSA-N
XLogP1.92
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxylate
CID 57496019
2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
CID 141313042
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 56967803
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1,3-oxazol-2-yl)benzoic acid
CID 66697590
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762416
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 136557575
2-methyl-6-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 95762363
4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide
CID 76551991
methyl 3-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1,3-oxazol-2-yl)benzoate
CID 57496018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide (CID 68671050) is 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide is Cc1csc(C2CCCN2C(=O)c2cc(C(N)=O)ccn2)n1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide?
The InChIKey is DSBNFLMQZOBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-8-22-14(18-9)12-3-2-6-19(12)15(21)11-7-10(13(16)20)4-5-17-11/h4-5,7-8,12H,2-3,6H2,1H3,(H2,16,20).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide?
2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide is sourced from PubChem (CID 68671050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).