N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide

C16H13FN2OS2 — CID 127047376

IUPACN-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc(-c2cccc(F)c2)cs1)c1cccs1
InChIInChI=1S/C16H13FN2OS2/c17-12-4-1-3-11(9-12)13-10-22-15(19-13)6-7-18-16(20)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyICWUQNIGAKOQKJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.98
Rot. Bonds5

About N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 127047376) has the molecular formula C16H13FN2OS2 and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID127047376
Molecular FormulaC16H13FN2OS2
Molecular Weight332.43 g/mol
Exact Mass332.05
IUPAC NameN-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc(-c2cccc(F)c2)cs1)c1cccs1
InChIInChI=1S/C16H13FN2OS2/c17-12-4-1-3-11(9-12)13-10-22-15(19-13)6-7-18-16(20)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyICWUQNIGAKOQKJ-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-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

N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760102
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110393640
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
CID 116968174
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317678

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide (CID 127047376) is N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1nc(-c2cccc(F)c2)cs1)c1cccs1.
What is the InChIKey of N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is ICWUQNIGAKOQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS2/c17-12-4-1-3-11(9-12)13-10-22-15(19-13)6-7-18-16(20)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H,18,20).
What are the key properties of N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 127047376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).