[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone

C15H11FN2OS2 — CID 11964458

IUPAC[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccsc1
InChIInChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)
InChIKeyPEAMDZVDNYENPN-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.63
Rot. Bonds4

About [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone

[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone (PubChem CID 11964458) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
PubChem CID11964458
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC Name[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccsc1
InChIInChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)
InChIKeyPEAMDZVDNYENPN-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone 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

2-Phenylamino-4-methyl-5-acetylthiazole
CID 735838
N-mesityl-4-methyl-2-[(thien-3-ylcarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 21911235
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
1-{4-Methyl-2-[(3-methylphenyl)amino]-1,3-thiazol-5-yl}ethan-1-one
CID 1485160
1-[3-(2'-Amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-phenyl]-ethanone
CID 2866921
1-[4-Methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide
CID 5333115
[4-Amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 931219
1-[4-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 972922
3-[5-(2,5-Dimethyl-thiophene-3-carbonyl)-thiazol-2-ylamino]-benzonitrile
CID 44390067
(2,5-Dimethyl-thiophen-3-yl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390162

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone (CID 11964458) is [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone is Cc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccsc1.
What is the InChIKey of [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
The InChIKey is PEAMDZVDNYENPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18).
What are the key properties of [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone?
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone has a molecular weight of 318.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 11964458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).