1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C15H16FN5OS — CID 171334222

IUPAC1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1(F)CCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C15H16FN5OS/c16-15(13(22)20-14-17-4-6-23-14)3-5-21(8-15)12-7-11(10-1-2-10)18-9-19-12/h4,6-7,9-10H,1-3,5,8H2,(H,17,20,22)
InChIKeyNWTSJCDBFRBAAB-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.37
Rot. Bonds4

About 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334222) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334222
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1(F)CCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C15H16FN5OS/c16-15(13(22)20-14-17-4-6-23-14)3-5-21(8-15)12-7-11(10-1-2-10)18-9-19-12/h4,6-7,9-10H,1-3,5,8H2,(H,17,20,22)
InChIKeyNWTSJCDBFRBAAB-UHFFFAOYSA-N
XLogP2.37
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-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

1-[3-[2-(1,3-Thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 118739882
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 76146825
3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 154797839
N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 159535289
N-[4-fluoro-5-[[(3S)-3-[(6-methylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 159535290
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4765796
N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 44821405
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155495494
3-fluoro-1-(6-methylpyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334190
1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334192
1-(5,6-dimethylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334194
3-fluoro-N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 171334224

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334222) is 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1(F)CCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is NWTSJCDBFRBAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5OS/c16-15(13(22)20-14-17-4-6-23-14)3-5-21(8-15)12-7-11(10-1-2-10)18-9-19-12/h4,6-7,9-10H,1-3,5,8H2,(H,17,20,22).
What are the key properties of 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).