4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole

C10H15BrFNS — CID 146378249

IUPAC4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole
SMILESCCCCC(C)(C)c1snc(F)c1Br
InChIInChI=1S/C10H15BrFNS/c1-4-5-6-10(2,3)8-7(11)9(12)13-14-8/h4-6H2,1-3H3
InChIKeyMQYUGSQSGNDNED-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.51
Rot. Bonds4

About 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole

4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole (PubChem CID 146378249) has the molecular formula C10H15BrFNS and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole
PubChem CID146378249
Molecular FormulaC10H15BrFNS
Molecular Weight280.21 g/mol
Exact Mass279.01
IUPAC Name4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole
SMILESCCCCC(C)(C)c1snc(F)c1Br
InChIInChI=1S/C10H15BrFNS/c1-4-5-6-10(2,3)8-7(11)9(12)13-14-8/h4-6H2,1-3H3
InChIKeyMQYUGSQSGNDNED-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole
CID 146378187
3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene
CID 146378255
4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378496
4-fluoro-2-(2-methylhexan-2-yl)furan
CID 146378699
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
3,4,5-tribromo-1-(5-methyldodecan-5-yl)pyrazole
CID 146378900
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
3,4-difluoro-2-(2-methylhexan-2-yl)furan
CID 146378479
2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379588
5-bromo-3-(difluoromethyl)-4-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146378980

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole?
The IUPAC name of 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole (CID 146378249) is 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole.
What is the SMILES notation for 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole?
The canonical SMILES for 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole is CCCCC(C)(C)c1snc(F)c1Br.
What is the InChIKey of 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole?
The InChIKey is MQYUGSQSGNDNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFNS/c1-4-5-6-10(2,3)8-7(11)9(12)13-14-8/h4-6H2,1-3H3.
What are the key properties of 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole?
4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole has a molecular weight of 280.21 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole is sourced from PubChem (CID 146378249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).