1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

C16H13FN6OS — CID 129285419

IUPAC1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESN#CN1CCC(F)(C(=O)Nc2ncc(-c3cccc4[nH]ncc34)s2)C1
InChIInChI=1S/C16H13FN6OS/c17-16(4-5-23(8-16)9-18)14(24)21-15-19-7-13(25-15)10-2-1-3-12-11(10)6-20-22-12/h1-3,6-7H,4-5,8H2,(H,20,22)(H,19,21,24)
InChIKeyRSIDXKVLNXPHNH-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.52
Rot. Bonds3

About 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 129285419) has the molecular formula C16H13FN6OS and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID129285419
Molecular FormulaC16H13FN6OS
Molecular Weight356.39 g/mol
Exact Mass356.09
IUPAC Name1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESN#CN1CCC(F)(C(=O)Nc2ncc(-c3cccc4[nH]ncc34)s2)C1
InChIInChI=1S/C16H13FN6OS/c17-16(4-5-23(8-16)9-18)14(24)21-15-19-7-13(25-15)10-2-1-3-12-11(10)6-20-22-12/h1-3,6-7H,4-5,8H2,(H,20,22)(H,19,21,24)
InChIKeyRSIDXKVLNXPHNH-UHFFFAOYSA-N
XLogP2.52
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-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-cyano-3-fluoro-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 129285272
(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 129301849
N-[5-(2-acetamidophenyl)-1,3-thiazol-2-yl]-1-cyanopyrrolidine-3-carboxamide
CID 130364589
2-cyano-1-phenyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 175732517
(3R)-3-[5-(1H-indazol-4-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl]pyrrolidine-1-carbonitrile
CID 130345379
4-cyano-1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 134418136
1-cyano-N-[5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980994
(3S)-1-cyano-N-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980931
1-cyano-N-[5-(3-cyanophenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980961
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indazole-4-carboxamide
CID 47381995
1-amino-N-(5-phenyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119287697
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (CID 129285419) is 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is N#CN1CCC(F)(C(=O)Nc2ncc(-c3cccc4[nH]ncc34)s2)C1.
What is the InChIKey of 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is RSIDXKVLNXPHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6OS/c17-16(4-5-23(8-16)9-18)14(24)21-15-19-7-13(25-15)10-2-1-3-12-11(10)6-20-22-12/h1-3,6-7H,4-5,8H2,(H,20,22)(H,19,21,24).
What are the key properties of 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-fluoro-N-[5-(1H-indazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 129285419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).