2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine

C16H20N2O2S — CID 62075863

IUPAC2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine
SMILESCOc1ccc(OC)c(-c2nc(C3CCCC3)sc2N)c1
InChIInChI=1S/C16H20N2O2S/c1-19-11-7-8-13(20-2)12(9-11)14-15(17)21-16(18-14)10-5-3-4-6-10/h7-10H,3-6,17H2,1-2H3
InChIKeyJTIIAFNGCNAXAE-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.07
Rot. Bonds4

About 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine

2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine (PubChem CID 62075863) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine
PubChem CID62075863
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine
SMILESCOc1ccc(OC)c(-c2nc(C3CCCC3)sc2N)c1
InChIInChI=1S/C16H20N2O2S/c1-19-11-7-8-13(20-2)12(9-11)14-15(17)21-16(18-14)10-5-3-4-6-10/h7-10H,3-6,17H2,1-2H3
InChIKeyJTIIAFNGCNAXAE-UHFFFAOYSA-N
XLogP4.07
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine (CID 62075863) is 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine is COc1ccc(OC)c(-c2nc(C3CCCC3)sc2N)c1.
What is the InChIKey of 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine?
The InChIKey is JTIIAFNGCNAXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-19-11-7-8-13(20-2)12(9-11)14-15(17)21-16(18-14)10-5-3-4-6-10/h7-10H,3-6,17H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine?
2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine has a molecular weight of 304.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62075863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).