2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide

C15H18ClN3OS — CID 60935553

IUPAC2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C)c2nc(C)sc2C)ccc1Cl
InChIInChI=1S/C15H18ClN3OS/c1-8(14-9(2)21-10(3)19-14)18-11-5-6-13(16)12(7-11)15(20)17-4/h5-8,18H,1-4H3,(H,17,20)
InChIKeyHRNPZSFCEYWCAI-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.95
Rot. Bonds4

About 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide

2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide (PubChem CID 60935553) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
PubChem CID60935553
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C)c2nc(C)sc2C)ccc1Cl
InChIInChI=1S/C15H18ClN3OS/c1-8(14-9(2)21-10(3)19-14)18-11-5-6-13(16)12(7-11)15(20)17-4/h5-8,18H,1-4H3,(H,17,20)
InChIKeyHRNPZSFCEYWCAI-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylaniline
CID 43105437
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
CID 43124277
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43725374
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43201329
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
CID 43123040
2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
CID 54864640
1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43109283
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43093249

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide (CID 60935553) is 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide is CNC(=O)c1cc(NC(C)c2nc(C)sc2C)ccc1Cl.
What is the InChIKey of 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide?
The InChIKey is HRNPZSFCEYWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-8(14-9(2)21-10(3)19-14)18-11-5-6-13(16)12(7-11)15(20)17-4/h5-8,18H,1-4H3,(H,17,20).
What are the key properties of 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide?
2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide has a molecular weight of 323.85 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 60935553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).