2-[(3-bromocyclohexyl)methyl]-1,3-thiazole

C10H14BrNS — CID 79823979

IUPAC2-[(3-bromocyclohexyl)methyl]-1,3-thiazole
SMILESBrC1CCCC(Cc2nccs2)C1
InChIInChI=1S/C10H14BrNS/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h4-5,8-9H,1-3,6-7H2
InChIKeyNRROLAWOFBNMSF-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.64
Rot. Bonds2

About 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole

2-[(3-bromocyclohexyl)methyl]-1,3-thiazole (PubChem CID 79823979) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-bromocyclohexyl)methyl]-1,3-thiazole
PubChem CID79823979
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-[(3-bromocyclohexyl)methyl]-1,3-thiazole
SMILESBrC1CCCC(Cc2nccs2)C1
InChIInChI=1S/C10H14BrNS/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h4-5,8-9H,1-3,6-7H2
InChIKeyNRROLAWOFBNMSF-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole
CID 79824864
1-[(1R)-3-propan-2-ylcyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 147300266
N-methyl-2-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824079
2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
CID 73440171
2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
CID 79824963
1-cyclohexyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105014924
4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 165491533
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115715095
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
2-(2-bromo-2-cyclopropylethyl)-1,3-thiazole
CID 63353715

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole (CID 79823979) is 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole is BrC1CCCC(Cc2nccs2)C1.
What is the InChIKey of 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole?
The InChIKey is NRROLAWOFBNMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c11-9-3-1-2-8(6-9)7-10-12-4-5-13-10/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole?
2-[(3-bromocyclohexyl)methyl]-1,3-thiazole has a molecular weight of 260.20 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromocyclohexyl)methyl]-1,3-thiazole is sourced from PubChem (CID 79823979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).