4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole

C11H16BrNS — CID 131110589

IUPAC4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C2CCCCCC2Br)cs1
InChIInChI=1S/C11H16BrNS/c1-8-13-11(7-14-8)9-5-3-2-4-6-10(9)12/h7,9-10H,2-6H2,1H3
InChIKeyPMCMQFIYWMWEJS-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.26
Rot. Bonds1

About 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole

4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole (PubChem CID 131110589) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole
PubChem CID131110589
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C2CCCCCC2Br)cs1
InChIInChI=1S/C11H16BrNS/c1-8-13-11(7-14-8)9-5-3-2-4-6-10(9)12/h7,9-10H,2-6H2,1H3
InChIKeyPMCMQFIYWMWEJS-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.26
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-(2-bromocyclohexyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 102638539
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one
CID 131059716
4-[5-(bromomethyl)oxolan-2-yl]-2-methyl-1,3-thiazole
CID 130583401
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 125138191
2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane
CID 143290404
3-(2-bromocycloheptyl)-4,5-dimethyl-1,2,4-triazole
CID 130943541
[5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine
CID 130583609
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 167992321
2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
CID 82376389

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole (CID 131110589) is 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole is Cc1nc(C2CCCCCC2Br)cs1.
What is the InChIKey of 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole?
The InChIKey is PMCMQFIYWMWEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8-13-11(7-14-8)9-5-3-2-4-6-10(9)12/h7,9-10H,2-6H2,1H3.
What are the key properties of 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole?
4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole has a molecular weight of 274.23 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromocycloheptyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 131110589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).