N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine

C13H12ClN3OS2 — CID 168583226

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine
SMILESCOc1cc2nc(C)sc2cc1NCc1cnc(Cl)s1
InChIInChI=1S/C13H12ClN3OS2/c1-7-17-10-3-11(18-2)9(4-12(10)19-7)15-5-8-6-16-13(14)20-8/h3-4,6,15H,5H2,1-2H3
InChIKeyWMTNCRNKGSSJOI-UHFFFAOYSA-N
MW325.85 g/mol
LogP4.34
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 168583226) has the molecular formula C13H12ClN3OS2 and a molecular weight of 325.85 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine
PubChem CID168583226
Molecular FormulaC13H12ClN3OS2
Molecular Weight325.85 g/mol
Exact Mass325.01
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine
SMILESCOc1cc2nc(C)sc2cc1NCc1cnc(Cl)s1
InChIInChI=1S/C13H12ClN3OS2/c1-7-17-10-3-11(18-2)9(4-12(10)19-7)15-5-8-6-16-13(14)20-8/h3-4,6,15H,5H2,1-2H3
InChIKeyWMTNCRNKGSSJOI-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine with MolForge

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Related Compounds

3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxybenzaldehyde
CID 168583808
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-iodo-2-methoxybenzoic acid
CID 168583321
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,5-dimethoxybenzenecarbothioamide
CID 168580701
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-3-methoxyaniline
CID 168582107
2-(3-chloro-4-methoxyphenyl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-methylbenzotriazol-5-amine
CID 168582352
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methoxy-5-(tetrazol-1-yl)aniline
CID 168580468
6-bromo-5-methoxy-2-methyl-1,3-benzothiazole
CID 118134419
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methoxy-3-(trifluoromethyl)aniline
CID 168582022
2,4-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethylaniline
CID 168579882
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine (CID 168583226) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine is COc1cc2nc(C)sc2cc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is WMTNCRNKGSSJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS2/c1-7-17-10-3-11(18-2)9(4-12(10)19-7)15-5-8-6-16-13(14)20-8/h3-4,6,15H,5H2,1-2H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 325.85 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 168583226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).