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

C18H16ClN3O2S — CID 168579725

IUPAC3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(NCc3cnc(Cl)s3)c2)c1
InChIInChI=1S/C18H16ClN3O2S/c1-24-15-7-3-6-14(9-15)22-17(23)12-4-2-5-13(8-12)20-10-16-11-21-18(19)25-16/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeySFMKHEKWPCZYKS-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.67
Rot. Bonds6

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

3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide (PubChem CID 168579725) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
PubChem CID168579725
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(NCc3cnc(Cl)s3)c2)c1
InChIInChI=1S/C18H16ClN3O2S/c1-24-15-7-3-6-14(9-15)22-17(23)12-4-2-5-13(8-12)20-10-16-11-21-18(19)25-16/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeySFMKHEKWPCZYKS-UHFFFAOYSA-N
XLogP4.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
CID 168582686
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide (CID 168579725) is 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(NCc3cnc(Cl)s3)c2)c1.
What is the InChIKey of 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide?
The InChIKey is SFMKHEKWPCZYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-15-7-3-6-14(9-15)22-17(23)12-4-2-5-13(8-12)20-10-16-11-21-18(19)25-16/h2-9,11,20H,10H2,1H3,(H,22,23).
What are the key properties of 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide?
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide has a molecular weight of 373.87 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 168579725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).