3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

C14H16ClN3OS — CID 61192619

IUPAC3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc(Cl)c(N)c2)s1
InChIInChI=1S/C14H16ClN3OS/c1-7-13(20-9(3)17-7)8(2)18-14(19)10-4-5-11(15)12(16)6-10/h4-6,8H,16H2,1-3H3,(H,18,19)
InChIKeyZSPNWWRJKXEUPN-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 61192619) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID61192619
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc(Cl)c(N)c2)s1
InChIInChI=1S/C14H16ClN3OS/c1-7-13(20-9(3)17-7)8(2)18-14(19)10-4-5-11(15)12(16)6-10/h4-6,8H,16H2,1-3H3,(H,18,19)
InChIKeyZSPNWWRJKXEUPN-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide 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

3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998657
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 47067601
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 61073901
5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide
CID 61192271
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 61192619) is 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(C)c(C(C)NC(=O)c2ccc(Cl)c(N)c2)s1.
What is the InChIKey of 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is ZSPNWWRJKXEUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-7-13(20-9(3)17-7)8(2)18-14(19)10-4-5-11(15)12(16)6-10/h4-6,8H,16H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 309.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 61192619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).