2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

C12H18N2O2S — CID 80570620

IUPAC2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC2CCC(C)C2C)sc1C(=O)O
InChIInChI=1S/C12H18N2O2S/c1-6-4-5-9(7(6)2)14-12-13-8(3)10(17-12)11(15)16/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeySOGLWQIAJCQGMX-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.00
Rot. Bonds3

About 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80570620) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80570620
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC2CCC(C)C2C)sc1C(=O)O
InChIInChI=1S/C12H18N2O2S/c1-6-4-5-9(7(6)2)14-12-13-8(3)10(17-12)11(15)16/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeySOGLWQIAJCQGMX-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569926
methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
CID 64921664
4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80732447
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580823
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569901
4-methyl-2-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570173
4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570685
N-(2,3-dimethylcyclopentyl)-4-methyl-1,3-thiazol-2-amine
CID 64922035
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569907
2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570132
2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 141096674
4-methyl-2-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80586724

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80570620) is 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC2CCC(C)C2C)sc1C(=O)O.
What is the InChIKey of 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SOGLWQIAJCQGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-6-4-5-9(7(6)2)14-12-13-8(3)10(17-12)11(15)16/h6-7,9H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).