1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C15H14ClN3S — CID 106760291

IUPAC1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H14ClN3S/c1-19(2)13-6-4-3-5-11(13)17-15-18-12-9-10(16)7-8-14(12)20-15/h3-9H,1-2H3,(H,17,18)
InChIKeyIGZYUQHNXNMRBV-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.76
Rot. Bonds3

About 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106760291) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106760291
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H14ClN3S/c1-19(2)13-6-4-3-5-11(13)17-15-18-12-9-10(16)7-8-14(12)20-15/h3-9H,1-2H3,(H,17,18)
InChIKeyIGZYUQHNXNMRBV-UHFFFAOYSA-N
XLogP4.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
CID 50879036
5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine
CID 63547522
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546234
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
N-[2-[4-[(1Z)-buta-1,3-dienyl]-3,3-dimethyl-2H-pyrrol-1-yl]phenyl]-5-chloro-1,3-benzothiazol-2-amine
CID 143386577
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
2-(1,3-benzothiazol-2-ylamino)-5-chlorobenzenecarbothioamide
CID 63519398
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106760291) is 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1Nc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is IGZYUQHNXNMRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-19(2)13-6-4-3-5-11(13)17-15-18-12-9-10(16)7-8-14(12)20-15/h3-9H,1-2H3,(H,17,18).
What are the key properties of 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 303.82 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106760291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).