7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol

C14H17ClN2O3S — CID 135157041

IUPAC7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12
InChIInChI=1S/C14H17ClN2O3S/c1-20-10-6-9(19)11(15)13-12(10)17-14(21-13)16-7-4-2-3-5-8(7)18/h6-8,18-19H,2-5H2,1H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyJOAXGWPAWAYHJQ-YUMQZZPRSA-N
MW328.82 g/mol
LogP3.38
Rot. Bonds3

About 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol

7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol (PubChem CID 135157041) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol
PubChem CID135157041
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12
InChIInChI=1S/C14H17ClN2O3S/c1-20-10-6-9(19)11(15)13-12(10)17-14(21-13)16-7-4-2-3-5-8(7)18/h6-8,18-19H,2-5H2,1H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyJOAXGWPAWAYHJQ-YUMQZZPRSA-N
XLogP3.38
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[[6-[(2-aminopyrimidin-4-yl)methoxy]-7-chloro-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135156976
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylethane-1,2-diamine
CID 33680119
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpropane-1,3-diamine
CID 33680123
7-chloro-4-methoxy-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine
CID 33680127
7-chloro-4-methoxy-N-(2-morpholinoethyl)benzo[d]thiazol-2-amine
CID 33680138
7-chloro-4-methoxy-N-(tetrahydrofuran-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969135
7-chloro-N-(3,3-difluorocyclohexyl)-4-methoxy-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 135156890
2-[(3,3-Difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol
CID 135156904
7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol
CID 135156984
7-Chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol
CID 135157031
trans-(1S,2S)-2-[[6-[(2-amino-3-fluoro-4-pyridinyl)methoxy]-7-chloro-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135157048
(1S)-2-[[6-[(2-amino-3-fluoro-4-pyridinyl)methoxy]-7-chloro-4-methoxy-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169568

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
The IUPAC name of 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol (CID 135157041) is 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol.
What is the SMILES notation for 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
The canonical SMILES for 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol is COc1cc(O)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12.
What is the InChIKey of 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
The InChIKey is JOAXGWPAWAYHJQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-20-10-6-9(19)11(15)13-12(10)17-14(21-13)16-7-4-2-3-5-8(7)18/h6-8,18-19H,2-5H2,1H3,(H,16,17)/t7-,8-/m0/s1.
What are the key properties of 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol has a molecular weight of 328.82 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol is sourced from PubChem (CID 135157041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).