2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide

C14H16ClN3OS — CID 60940622

IUPAC2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
SMILESCc1ncc(CNc2ccc(Cl)c(C(=O)N(C)C)c2)s1
InChIInChI=1S/C14H16ClN3OS/c1-9-16-7-11(20-9)8-17-10-4-5-13(15)12(6-10)14(19)18(2)3/h4-7,17H,8H2,1-3H3
InChIKeyYZXHDAQBQBAWJX-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide

2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide (PubChem CID 60940622) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
PubChem CID60940622
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
SMILESCc1ncc(CNc2ccc(Cl)c(C(=O)N(C)C)c2)s1
InChIInChI=1S/C14H16ClN3OS/c1-9-16-7-11(20-9)8-17-10-4-5-13(15)12(6-10)14(19)18(2)3/h4-7,17H,8H2,1-3H3
InChIKeyYZXHDAQBQBAWJX-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 54868758
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62749405
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 83089965
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide (CID 60940622) is 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide is Cc1ncc(CNc2ccc(Cl)c(C(=O)N(C)C)c2)s1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
The InChIKey is YZXHDAQBQBAWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9-16-7-11(20-9)8-17-10-4-5-13(15)12(6-10)14(19)18(2)3/h4-7,17H,8H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide has a molecular weight of 309.82 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 60940622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).