4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide

C13H14ClN3OS — CID 62758513

IUPAC4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1cncs1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)13(18)11-4-3-9(14)5-12(11)16-7-10-6-15-8-19-10/h3-6,8,16H,7H2,1-2H3
InChIKeyMPGSAMAPMDAWPO-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.11
Rot. Bonds4

About 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide

4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide (PubChem CID 62758513) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
PubChem CID62758513
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1cncs1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)13(18)11-4-3-9(14)5-12(11)16-7-10-6-15-8-19-10/h3-6,8,16H,7H2,1-2H3
InChIKeyMPGSAMAPMDAWPO-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555357
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 154782107
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 60847700

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide (CID 62758513) is 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide is CN(C)C(=O)c1ccc(Cl)cc1NCc1cncs1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide?
The InChIKey is MPGSAMAPMDAWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17(2)13(18)11-4-3-9(14)5-12(11)16-7-10-6-15-8-19-10/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide?
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide has a molecular weight of 295.80 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide is sourced from PubChem (CID 62758513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).