4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol

C14H19N3OS — CID 43450447

IUPAC4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol
SMILESCc1nc2cc(NC3CCC(O)CC3)c(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-8-16-13-7-12(11(15)6-14(13)19-8)17-9-2-4-10(18)5-3-9/h6-7,9-10,17-18H,2-5,15H2,1H3
InChIKeyALVBRYWWDSXBGF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.90
Rot. Bonds2

About 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol

4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol (PubChem CID 43450447) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol
PubChem CID43450447
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol
SMILESCc1nc2cc(NC3CCC(O)CC3)c(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-8-16-13-7-12(11(15)6-14(13)19-8)17-9-2-4-10(18)5-3-9/h6-7,9-10,17-18H,2-5,15H2,1H3
InChIKeyALVBRYWWDSXBGF-UHFFFAOYSA-N
XLogP2.90
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol (CID 43450447) is 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol is Cc1nc2cc(NC3CCC(O)CC3)c(N)cc2s1.
What is the InChIKey of 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol?
The InChIKey is ALVBRYWWDSXBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-8-16-13-7-12(11(15)6-14(13)19-8)17-9-2-4-10(18)5-3-9/h6-7,9-10,17-18H,2-5,15H2,1H3.
What are the key properties of 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol?
4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43450447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).