2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide

C13H13Cl2N3OS — CID 104921758

IUPAC2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCc2ncc(Cl)s2)ccc1Cl
InChIInChI=1S/C13H13Cl2N3OS/c1-18(2)13(19)9-5-8(3-4-10(9)14)16-7-12-17-6-11(15)20-12/h3-6,16H,7H2,1-2H3
InChIKeyOJDRBBYOGLXTNS-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.76
Rot. Bonds4

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

2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 104921758) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID104921758
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCc2ncc(Cl)s2)ccc1Cl
InChIInChI=1S/C13H13Cl2N3OS/c1-18(2)13(19)9-5-8(3-4-10(9)14)16-7-12-17-6-11(15)20-12/h3-6,16H,7H2,1-2H3
InChIKeyOJDRBBYOGLXTNS-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62749405
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
CID 104878920
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 83089965
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide (CID 104921758) is 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NCc2ncc(Cl)s2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is OJDRBBYOGLXTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-18(2)13(19)9-5-8(3-4-10(9)14)16-7-12-17-6-11(15)20-12/h3-6,16H,7H2,1-2H3.
What are the key properties of 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 330.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 104921758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).