2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine

C11H18N2S — CID 62077188

IUPAC2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine
SMILESCCCCCc1nc(C2CC2)sc1N
InChIInChI=1S/C11H18N2S/c1-2-3-4-5-9-10(12)14-11(13-9)8-6-7-8/h8H,2-7,12H2,1H3
InChIKeyXGDIWZHGLTTYMY-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.34
Rot. Bonds5

About 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine

2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine (PubChem CID 62077188) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine
PubChem CID62077188
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine
SMILESCCCCCc1nc(C2CC2)sc1N
InChIInChI=1S/C11H18N2S/c1-2-3-4-5-9-10(12)14-11(13-9)8-6-7-8/h8H,2-7,12H2,1H3
InChIKeyXGDIWZHGLTTYMY-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
CID 116504998
2-cyclopentyl-4-ethyl-1,3-thiazol-5-amine
CID 62076526
4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine
CID 63469688
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432278
[2-(4-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361233
2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine
CID 55048836
2,3-dicyclopropyl-5-hexylimidazol-4-amine
CID 62220748
N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429453
5-amino-4-butyl-1,3-thiazole-2-carboxylic acid
CID 174954459
2-cyclohexyl-4-pentylimidazole-1,5-diamine
CID 62507105
4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
2,5-bis(4-hexylcyclohexyl)-1,3,4-thiadiazole
CID 15597091

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine (CID 62077188) is 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine is CCCCCc1nc(C2CC2)sc1N.
What is the InChIKey of 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine?
The InChIKey is XGDIWZHGLTTYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-3-4-5-9-10(12)14-11(13-9)8-6-7-8/h8H,2-7,12H2,1H3.
What are the key properties of 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine?
2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine has a molecular weight of 210.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62077188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).