4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine

C16H19ClN2S — CID 82548993

IUPAC4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine
SMILESClc1cc2c(c3sc(NC4CCCC4)nc13)CCCC2
InChIInChI=1S/C16H19ClN2S/c17-13-9-10-5-1-4-8-12(10)15-14(13)19-16(20-15)18-11-6-2-3-7-11/h9,11H,1-8H2,(H,18,19)
InChIKeyIHXFMJWVSVGIEA-UHFFFAOYSA-N
MW306.86 g/mol
LogP5.18
Rot. Bonds2

About 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine

4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine (PubChem CID 82548993) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine
PubChem CID82548993
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine
SMILESClc1cc2c(c3sc(NC4CCCC4)nc13)CCCC2
InChIInChI=1S/C16H19ClN2S/c17-13-9-10-5-1-4-8-12(10)15-14(13)19-16(20-15)18-11-6-2-3-7-11/h9,11H,1-8H2,(H,18,19)
InChIKeyIHXFMJWVSVGIEA-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.86
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192099
7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
CID 82548927
N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
CID 82549515
N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549497
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 71561272
6-chloro-N-cyclohexyl-4-nitro-1,3-benzothiazol-2-amine
CID 96710418
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
CID 53273626
4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine
CID 134465576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine?
The IUPAC name of 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine (CID 82548993) is 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine?
The canonical SMILES for 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine is Clc1cc2c(c3sc(NC4CCCC4)nc13)CCCC2.
What is the InChIKey of 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine?
The InChIKey is IHXFMJWVSVGIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c17-13-9-10-5-1-4-8-12(10)15-14(13)19-16(20-15)18-11-6-2-3-7-11/h9,11H,1-8H2,(H,18,19).
What are the key properties of 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine?
4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine has a molecular weight of 306.86 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine is sourced from PubChem (CID 82548993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).