5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

C13H20N2O2S — CID 114137408

IUPAC5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCCCC2CCCC2)c1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-9-11(13(16)17)12(18-15-9)14-8-4-7-10-5-2-3-6-10/h10,14H,2-8H2,1H3,(H,16,17)
InChIKeyRCALTIVTOKSZSO-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.53
Rot. Bonds6

About 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 114137408) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID114137408
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCCCC2CCCC2)c1C(=O)O
InChIInChI=1S/C13H20N2O2S/c1-9-11(13(16)17)12(18-15-9)14-8-4-7-10-5-2-3-6-10/h10,14H,2-8H2,1H3,(H,16,17)
InChIKeyRCALTIVTOKSZSO-UHFFFAOYSA-N
XLogP3.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
5-[2-(dimethylamino)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402590
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
3-methyl-5-[(3-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 107415757
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
3-methyl-5-[2-(trifluoromethylsulfanyl)ethylamino]-1,2-thiazole-4-carboxylic acid
CID 106433137
5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402056
3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 79402732
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 114137408) is 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NCCCC2CCCC2)c1C(=O)O.
What is the InChIKey of 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is RCALTIVTOKSZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-11(13(16)17)12(18-15-9)14-8-4-7-10-5-2-3-6-10/h10,14H,2-8H2,1H3,(H,16,17).
What are the key properties of 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 114137408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).