4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol

C9H13N3O3S — CID 102770367

IUPAC4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C9H13N3O3S/c13-7-3-1-6(2-4-7)11-9-10-5-8(16-9)12(14)15/h5-7,13H,1-4H2,(H,10,11)
InChIKeyIWOWCSSBHDHHPG-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.77
Rot. Bonds3

About 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol

4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol (PubChem CID 102770367) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
PubChem CID102770367
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C9H13N3O3S/c13-7-3-1-6(2-4-7)11-9-10-5-8(16-9)12(14)15/h5-7,13H,1-4H2,(H,10,11)
InChIKeyIWOWCSSBHDHHPG-UHFFFAOYSA-N
XLogP1.77
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
CID 106322245
N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine
CID 102770963
N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
CID 102770677
2,2-dimethyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
CID 102771172
N-(2,2-dimethylcyclopropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770701
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
CID 102770919
N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2948518
5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-2-amine
CID 102770953
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102769905
2-[ethyl-[3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122062047
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol (CID 102770367) is 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol is O=[N+]([O-])c1cnc(NC2CCC(O)CC2)s1.
What is the InChIKey of 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
The InChIKey is IWOWCSSBHDHHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-7-3-1-6(2-4-7)11-9-10-5-8(16-9)12(14)15/h5-7,13H,1-4H2,(H,10,11).
What are the key properties of 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol has a molecular weight of 243.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102770367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).