N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine

C15H11N3S — CID 155348789

IUPACN-(1H-indol-3-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C15H11N3S/c1-2-6-11-10(5-1)13(9-16-11)18-15-17-12-7-3-4-8-14(12)19-15/h1-9,16H,(H,17,18)
InChIKeyZHIXCCHJCABUIH-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.52
Rot. Bonds2

About N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine

N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 155348789) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-1,3-benzothiazol-2-amine
PubChem CID155348789
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC NameN-(1H-indol-3-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C15H11N3S/c1-2-6-11-10(5-1)13(9-16-11)18-15-17-12-7-3-4-8-14(12)19-15/h1-9,16H,(H,17,18)
InChIKeyZHIXCCHJCABUIH-UHFFFAOYSA-N
XLogP4.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 47470237
N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
CID 115143953
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 6460295
N-(2-bromo-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 175658877
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 28832810
N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 29067966
N-(1,3-benzothiazol-2-yl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955809
(2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135811914
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 175655892

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine (CID 155348789) is N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine is c1ccc2sc(Nc3c[nH]c4ccccc34)nc2c1.
What is the InChIKey of N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is ZHIXCCHJCABUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-2-6-11-10(5-1)13(9-16-11)18-15-17-12-7-3-4-8-14(12)19-15/h1-9,16H,(H,17,18).
What are the key properties of N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine?
N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 265.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 155348789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).