3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C15H16F3N3OS — CID 74249722

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESNc1nc(CCC(=O)NCCc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)11-3-1-2-10(8-11)6-7-20-13(22)5-4-12-9-23-14(19)21-12/h1-3,8-9H,4-7H2,(H2,19,21)(H,20,22)
InChIKeyQWRKJZWRMQSSHE-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.04
Rot. Bonds6

About 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 74249722) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID74249722
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESNc1nc(CCC(=O)NCCc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)11-3-1-2-10(8-11)6-7-20-13(22)5-4-12-9-23-14(19)21-12/h1-3,8-9H,4-7H2,(H2,19,21)(H,20,22)
InChIKeyQWRKJZWRMQSSHE-UHFFFAOYSA-N
XLogP3.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide 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

Thiourea, N-(2-phenylethyl)-N'-(4-(trifluoromethyl)-2-thiazolyl)-
CID 3001111
(S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 44425292
3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 16196354
1-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 25110788
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-aminothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 44425241
N-(3,5-bis-trifluoromethyl-benzyl)-2-(2-guanidino-thiazol-4-yl)-4-(4-phenyl-piperidin-1-yl)-butyramide
CID 44425281
N-{3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl}acetamide
CID 4962231
N-(2-(4-(2-amino-1,3-thiazol-4-yl)phenyl)ethyl)acetamide
CID 2474355
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-aminothiazol-4-yl)-4-(4-(4-fluorophenyl)piperidin-1-yl)butanamide
CID 44425242
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-aminothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 44425288
(R)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 44425308
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetamidothiazol-4-yl)-4-(piperidin-1-yl)butanamide
CID 44425315

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 74249722) is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide is Nc1nc(CCC(=O)NCCc2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is QWRKJZWRMQSSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)11-3-1-2-10(8-11)6-7-20-13(22)5-4-12-9-23-14(19)21-12/h1-3,8-9H,4-7H2,(H2,19,21)(H,20,22).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 343.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 74249722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).