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

C12H18N2O2S — CID 106006443

IUPAC2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCCCC2CCCC2)s1
InChIInChI=1S/C12H18N2O2S/c15-11(16)10-8-14-12(17-10)13-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H,13,14)(H,15,16)
InChIKeyANQMXZIBWKHPII-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.22
Rot. Bonds6

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

2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 106006443) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID106006443
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCCCC2CCCC2)s1
InChIInChI=1S/C12H18N2O2S/c15-11(16)10-8-14-12(17-10)13-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H,13,14)(H,15,16)
InChIKeyANQMXZIBWKHPII-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.22
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

N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 106013018
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
CID 80571694
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360
2-(thian-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80612543
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 130569074
2-(cyclopentylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641579
2-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80587042
methyl 2-[2-(3-methylcyclohexyl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571530
2-[4-[methyl(propan-2-yl)amino]butylamino]-1,3-thiazole-5-carboxylic acid
CID 80571247
2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571367

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid (CID 106006443) is 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NCCCC2CCCC2)s1.
What is the InChIKey of 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ANQMXZIBWKHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-11(16)10-8-14-12(17-10)13-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid?
2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106006443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).