5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid

C15H24N2O2S — CID 115424911

IUPAC5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NCC2(CC(C)C)CCCC2)nc1C(=O)O
InChIInChI=1S/C15H24N2O2S/c1-10(2)8-15(6-4-5-7-15)9-16-14-17-12(13(18)19)11(3)20-14/h10H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDGDXBEHKNYHFJF-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.17
Rot. Bonds6

About 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid

5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 115424911) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID115424911
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NCC2(CC(C)C)CCCC2)nc1C(=O)O
InChIInChI=1S/C15H24N2O2S/c1-10(2)8-15(6-4-5-7-15)9-16-14-17-12(13(18)19)11(3)20-14/h10H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDGDXBEHKNYHFJF-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid (CID 115424911) is 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid is Cc1sc(NCC2(CC(C)C)CCCC2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DGDXBEHKNYHFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)8-15(6-4-5-7-15)9-16-14-17-12(13(18)19)11(3)20-14/h10H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).