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

C10H12BrNOS — CID 130826738

IUPAC(4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1nc(Br)cs1
InChIInChI=1S/C10H12BrNOS/c1-6-3-2-4-7(6)9(13)10-12-8(11)5-14-10/h5-7H,2-4H2,1H3
InChIKeyWSVBEDMTTSMNHX-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.52
Rot. Bonds2

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

(4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone (PubChem CID 130826738) 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)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone
PubChem CID130826738
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1nc(Br)cs1
InChIInChI=1S/C10H12BrNOS/c1-6-3-2-4-7(6)9(13)10-12-8(11)5-14-10/h5-7H,2-4H2,1H3
InChIKeyWSVBEDMTTSMNHX-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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)-(2-methylcyclopentyl)methanone?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone (CID 130826738) is (4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)c1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is WSVBEDMTTSMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-6-3-2-4-7(6)9(13)10-12-8(11)5-14-10/h5-7H,2-4H2,1H3.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone?
(4-bromo-1,3-thiazol-2-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 274.18 g/mol, XLogP of 3.52, 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)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 130826738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).