(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol

C12H14ClN3OS — CID 122438770

IUPAC(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol
SMILESN[C@H]1C[C@@H](O)C[C@H]1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H14ClN3OS/c13-6-1-2-9-11(3-6)18-12(15-9)16-10-5-7(17)4-8(10)14/h1-3,7-8,10,17H,4-5,14H2,(H,15,16)/t7-,8+,10-/m1/s1
InChIKeyYVSMDRPBCWNYML-KHQFGBGNSA-N
MW283.78 g/mol
LogP2.21
Rot. Bonds2

About (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol

(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol (PubChem CID 122438770) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol
PubChem CID122438770
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol
SMILESN[C@H]1C[C@@H](O)C[C@H]1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H14ClN3OS/c13-6-1-2-9-11(3-6)18-12(15-9)16-10-5-7(17)4-8(10)14/h1-3,7-8,10,17H,4-5,14H2,(H,15,16)/t7-,8+,10-/m1/s1
InChIKeyYVSMDRPBCWNYML-KHQFGBGNSA-N
XLogP2.21
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol with MolForge

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Related Compounds

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
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 79525707
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol?
The IUPAC name of (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol (CID 122438770) is (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol?
The canonical SMILES for (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol is N[C@H]1C[C@@H](O)C[C@H]1Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol?
The InChIKey is YVSMDRPBCWNYML-KHQFGBGNSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c13-6-1-2-9-11(3-6)18-12(15-9)16-10-5-7(17)4-8(10)14/h1-3,7-8,10,17H,4-5,14H2,(H,15,16)/t7-,8+,10-/m1/s1.
What are the key properties of (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol?
(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol has a molecular weight of 283.78 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 122438770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).