N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride

C16H14Cl2N4OS — CID 87944343

IUPACN-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cl
InChIInChI=1S/C16H13ClN4OS.ClH/c1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;/h3-8H,1-2H3,(H,19,20);1H
InChIKeyVYTZHHSUCYJZEU-UHFFFAOYSA-N
MW381.29 g/mol
LogP5.01
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride

N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride (PubChem CID 87944343) has the molecular formula C16H14Cl2N4OS and a molecular weight of 381.29 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
PubChem CID87944343
Molecular FormulaC16H14Cl2N4OS
Molecular Weight381.29 g/mol
Exact Mass380.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cl
InChIInChI=1S/C16H13ClN4OS.ClH/c1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;/h3-8H,1-2H3,(H,19,20);1H
InChIKeyVYTZHHSUCYJZEU-UHFFFAOYSA-N
XLogP5.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.29
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
CID 87944232
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944171
N-(2-methoxy-4-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944407
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
4-methoxy-3-[(6-methylpyrrolo[3,2-e][1,3]benzothiazol-2-yl)amino]benzonitrile;hydrochloride
CID 87944484
N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
CID 123570612
N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
CID 123442510
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
CID 86665499
2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 22588357
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride (CID 87944343) is N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride is COc1ccc(Cl)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
The InChIKey is VYTZHHSUCYJZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS.ClH/c1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;/h3-8H,1-2H3,(H,19,20);1H.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride?
N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride has a molecular weight of 381.29 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride is sourced from PubChem (CID 87944343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).