6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine

C15H19ClN2S — CID 79525707

IUPAC6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCCC1CCC(Nc2nc3ccc(Cl)cc3s2)C1C
InChIInChI=1S/C15H19ClN2S/c1-3-10-4-6-12(9(10)2)17-15-18-13-7-5-11(16)8-14(13)19-15/h5,7-10,12H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyICFSRUNQDSUNSA-UHFFFAOYSA-N
MW294.85 g/mol
LogP5.19
Rot. Bonds3

About 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine

6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine (PubChem CID 79525707) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine
PubChem CID79525707
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCCC1CCC(Nc2nc3ccc(Cl)cc3s2)C1C
InChIInChI=1S/C15H19ClN2S/c1-3-10-4-6-12(9(10)2)17-15-18-13-7-5-11(16)8-14(13)19-15/h5,7-10,12H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyICFSRUNQDSUNSA-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.85
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
3-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-3,4-diamine;dihydrochloride
CID 122438812
(3R,4S)-3-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-3,4-diamine;dihydrochloride
CID 122438810
(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol
CID 122438770
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
2-N-(2-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63402632
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
4-ethyl-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
CID 64923383
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine (CID 79525707) is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine is CCC1CCC(Nc2nc3ccc(Cl)cc3s2)C1C.
What is the InChIKey of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine?
The InChIKey is ICFSRUNQDSUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-3-10-4-6-12(9(10)2)17-15-18-13-7-5-11(16)8-14(13)19-15/h5,7-10,12H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine has a molecular weight of 294.85 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).