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

C15H17ClN2OS — CID 61192187

IUPAC4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc(CCl)cc2)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-14(20-11(3)17-9)10(2)18-15(19)13-6-4-12(8-16)5-7-13/h4-7,10H,8H2,1-3H3,(H,18,19)
InChIKeySYYDOMALRSTCEO-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.99
Rot. Bonds4

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

4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 61192187) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID61192187
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc(CCl)cc2)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-14(20-11(3)17-9)10(2)18-15(19)13-6-4-12(8-16)5-7-13/h4-7,10H,8H2,1-3H3,(H,18,19)
InChIKeySYYDOMALRSTCEO-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-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

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]-4-(methylamino)benzamide
CID 62174107
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192619
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 47067601
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 61073901
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998657
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95296656
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 61192187) is 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(C)c(C(C)NC(=O)c2ccc(CCl)cc2)s1.
What is the InChIKey of 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is SYYDOMALRSTCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9-14(20-11(3)17-9)10(2)18-15(19)13-6-4-12(8-16)5-7-13/h4-7,10H,8H2,1-3H3,(H,18,19).
What are the key properties of 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 308.83 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 61192187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).