N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide

C14H15N3OS — CID 162743697

IUPACN-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(C2CCCN2c2ccccc2)cs1
InChIInChI=1S/C14H15N3OS/c18-10-15-14-16-12(9-19-14)13-7-4-8-17(13)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,15,16,18)
InChIKeyOFUCBMYZYGOSJP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.05
Rot. Bonds4

About N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide

N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide (PubChem CID 162743697) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
PubChem CID162743697
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1nc(C2CCCN2c2ccccc2)cs1
InChIInChI=1S/C14H15N3OS/c18-10-15-14-16-12(9-19-14)13-7-4-8-17(13)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,15,16,18)
InChIKeyOFUCBMYZYGOSJP-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide 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-[4-(tert-butyl)-1,3-thiazol-2-yl]-N'-phenylurea
CID 1484524
N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51128940
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-phenylurea
CID 164610421
N-{2'-[4-(diethylamino)anilino]-4-methyl-4',5-bis(1,3-thiazole)-2-yl}acetamide
CID 1117218
1-[4-[Amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-[4-(dimethylamino)phenyl]urea
CID 46942961
1-[4-(Aminomethyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea
CID 46943873
1-[4-[Amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 46943874
N-Cyclopentylcarbamoylmethyl-N'-(4-methyl-thiazol-2-yl)-N-phenyl-succinamide
CID 3210669
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 16486350
2-{2-[(4-Fluorophenyl)amino]-1,3-thiazol-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one
CID 27377825
1-[4-[(Dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea
CID 49786529
1-(3-Fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857801

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide (CID 162743697) is N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide is O=CNc1nc(C2CCCN2c2ccccc2)cs1.
What is the InChIKey of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
The InChIKey is OFUCBMYZYGOSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-10-15-14-16-12(9-19-14)13-7-4-8-17(13)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,15,16,18).
What are the key properties of N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide?
N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide has a molecular weight of 273.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 162743697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).