(4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone

C10H12BrNOS — CID 131124024

IUPAC(4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)c2nc(Br)cs2)CCCC1
InChIInChI=1S/C10H12BrNOS/c1-10(4-2-3-5-10)8(13)9-12-7(11)6-14-9/h6H,2-5H2,1H3
InChIKeyKJMIVJMPZFQOPV-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.67
Rot. Bonds2

About (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone

(4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone (PubChem CID 131124024) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone
PubChem CID131124024
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)c2nc(Br)cs2)CCCC1
InChIInChI=1S/C10H12BrNOS/c1-10(4-2-3-5-10)8(13)9-12-7(11)6-14-9/h6H,2-5H2,1H3
InChIKeyKJMIVJMPZFQOPV-UHFFFAOYSA-N
XLogP3.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone (CID 131124024) is (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone is CC1(C(=O)c2nc(Br)cs2)CCCC1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone?
The InChIKey is KJMIVJMPZFQOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-10(4-2-3-5-10)8(13)9-12-7(11)6-14-9/h6H,2-5H2,1H3.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone?
(4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone has a molecular weight of 274.18 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 131124024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).