4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide

C13H14ClN3OS — CID 104921583

IUPAC4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)13(18)9-3-5-10(6-4-9)15-8-12-16-7-11(14)19-12/h3-7,15H,8H2,1-2H3
InChIKeyTWADMTTVOBLCQD-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.11
Rot. Bonds4

About 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 104921583) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID104921583
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)13(18)9-3-5-10(6-4-9)15-8-12-16-7-11(14)19-12/h3-7,15H,8H2,1-2H3
InChIKeyTWADMTTVOBLCQD-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

2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
CID 104878920
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 103696962
[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107124007
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43681979

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide (CID 104921583) is 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCc2ncc(Cl)s2)cc1.
What is the InChIKey of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is TWADMTTVOBLCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17(2)13(18)9-3-5-10(6-4-9)15-8-12-16-7-11(14)19-12/h3-7,15H,8H2,1-2H3.
What are the key properties of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide?
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide 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-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 104921583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).