N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine

C11H17N3O2S — CID 102770963

IUPACN-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine
SMILESCC1(C)CCCC(Nc2ncc([N+](=O)[O-])s2)C1
InChIInChI=1S/C11H17N3O2S/c1-11(2)5-3-4-8(6-11)13-10-12-7-9(17-10)14(15)16/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyLZMCNWXYFKTCQH-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.43
Rot. Bonds3

About N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine

N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine (PubChem CID 102770963) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine
PubChem CID102770963
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine
SMILESCC1(C)CCCC(Nc2ncc([N+](=O)[O-])s2)C1
InChIInChI=1S/C11H17N3O2S/c1-11(2)5-3-4-8(6-11)13-10-12-7-9(17-10)14(15)16/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyLZMCNWXYFKTCQH-UHFFFAOYSA-N
XLogP3.43
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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
4-[(5-nitro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 102770367
2,2-dimethyl-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
CID 102771172
cis-(1R,3S)-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
CID 106322245
N-(1-cyclopropylpyrrolidin-3-yl)-5-nitro-1,3-thiazol-2-amine
CID 102770677
N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
5-[(3,3-dimethylcyclohexyl)amino]-2-nitrobenzonitrile
CID 115500441
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
5-[(3,3-dimethylcyclohexyl)amino]-1,3,4-thiadiazole-2-carbonitrile
CID 167779164
N-(3,3-dimethylcyclohexyl)-3,5-difluoro-2-nitroaniline
CID 115508041
N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 106013018

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine (CID 102770963) is N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine is CC1(C)CCCC(Nc2ncc([N+](=O)[O-])s2)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine?
The InChIKey is LZMCNWXYFKTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(2)5-3-4-8(6-11)13-10-12-7-9(17-10)14(15)16/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine?
N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine has a molecular weight of 255.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102770963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).