6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride

C12H16ClN3S — CID 129009541

IUPAC6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride
SMILESCCNC1Cc2cc3nc(N)sc3cc2C1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-2-14-9-3-7-5-10-11(6-8(7)4-9)16-12(13)15-10;/h5-6,9,14H,2-4H2,1H3,(H2,13,15);1H
InChIKeyLPVDHQYIFLYYHH-UHFFFAOYSA-N
MW269.80 g/mol
LogP2.38
Rot. Bonds2

About 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride

6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride (PubChem CID 129009541) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride
PubChem CID129009541
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride
SMILESCCNC1Cc2cc3nc(N)sc3cc2C1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-2-14-9-3-7-5-10-11(6-8(7)4-9)16-12(13)15-10;/h5-6,9,14H,2-4H2,1H3,(H2,13,15);1H
InChIKeyLPVDHQYIFLYYHH-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride with MolForge

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Related Compounds

6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
6-chloro-5-ethyl-1,3-benzothiazol-2-amine
CID 170435006
6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
CID 116999742
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929
6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348464
5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine
CID 82508790
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 11615735
(1R,12R,16R)-13-(cyclobutylmethyl)-1,16-dimethyl-7-thia-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-6-amine
CID 11186913
7-[(3-fluorophenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
CID 71541174
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348845
methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride?
The IUPAC name of 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride (CID 129009541) is 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride.
What is the SMILES notation for 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride?
The canonical SMILES for 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride is CCNC1Cc2cc3nc(N)sc3cc2C1.Cl.
What is the InChIKey of 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride?
The InChIKey is LPVDHQYIFLYYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S.ClH/c1-2-14-9-3-7-5-10-11(6-8(7)4-9)16-12(13)15-10;/h5-6,9,14H,2-4H2,1H3,(H2,13,15);1H.
What are the key properties of 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride?
6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;hydrochloride is sourced from PubChem (CID 129009541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).