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

C11H15NOS — CID 130815632

IUPAC(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)C2CCC(C)C2)cs1
InChIInChI=1S/C11H15NOS/c1-7-3-4-9(5-7)11(13)10-6-14-8(2)12-10/h6-7,9H,3-5H2,1-2H3
InChIKeyFXELSJBFSCCWJO-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.07
Rot. Bonds2

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

(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 130815632) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID130815632
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)C2CCC(C)C2)cs1
InChIInChI=1S/C11H15NOS/c1-7-3-4-9(5-7)11(13)10-6-14-8(2)12-10/h6-7,9H,3-5H2,1-2H3
InChIKeyFXELSJBFSCCWJO-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone
CID 116585162
(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 105119078
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
(2-aminocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 127004310
2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 131204307
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
2-amino-2-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130757840
(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone
CID 130631626
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 130815632) is (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)C2CCC(C)C2)cs1.
What is the InChIKey of (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is FXELSJBFSCCWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-3-4-9(5-7)11(13)10-6-14-8(2)12-10/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 209.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130815632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).