4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide

C16H14ClN3OS — CID 146143576

IUPAC4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2nsc3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3OS/c1-18-16(21)11-7-6-10(8-13(11)17)19-9-14-12-4-2-3-5-15(12)22-20-14/h2-8,19H,9H2,1H3,(H,18,21)
InChIKeyQQCVMTUGQKPDQO-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.92
Rot. Bonds4

About 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide

4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide (PubChem CID 146143576) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide
PubChem CID146143576
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2nsc3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3OS/c1-18-16(21)11-7-6-10(8-13(11)17)19-9-14-12-4-2-3-5-15(12)22-20-14/h2-8,19H,9H2,1H3,(H,18,21)
InChIKeyQQCVMTUGQKPDQO-UHFFFAOYSA-N
XLogP3.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 97102578
2-(1,2-benzothiazol-3-yl)-N-methylacetamide
CID 821850
2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 71857453
2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide
CID 75494938
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
CID 52704961
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide
CID 47064308
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
CID 60934816

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide?
The IUPAC name of 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide (CID 146143576) is 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide.
What is the SMILES notation for 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide?
The canonical SMILES for 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide is CNC(=O)c1ccc(NCc2nsc3ccccc23)cc1Cl.
What is the InChIKey of 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide?
The InChIKey is QQCVMTUGQKPDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-18-16(21)11-7-6-10(8-13(11)17)19-9-14-12-4-2-3-5-15(12)22-20-14/h2-8,19H,9H2,1H3,(H,18,21).
What are the key properties of 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide?
4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide has a molecular weight of 331.83 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazol-3-ylmethylamino)-2-chloro-N-methylbenzamide is sourced from PubChem (CID 146143576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).