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

C17H20N2S — CID 79972611

IUPAC2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCC2)nc1-c1ccc(C2CC2)cc1
InChIInChI=1S/C17H20N2S/c18-16-15(19-17(20-16)14-3-1-2-4-14)13-9-7-12(8-10-13)11-5-6-11/h7-11,14H,1-6,18H2
InChIKeyPHOXMXCUPCTMKT-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.93
Rot. Bonds3

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

2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine (PubChem CID 79972611) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine
PubChem CID79972611
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCC2)nc1-c1ccc(C2CC2)cc1
InChIInChI=1S/C17H20N2S/c18-16-15(19-17(20-16)14-3-1-2-4-14)13-9-7-12(8-10-13)11-5-6-11/h7-11,14H,1-6,18H2
InChIKeyPHOXMXCUPCTMKT-UHFFFAOYSA-N
XLogP4.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine (CID 79972611) is 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine is Nc1sc(C2CCCC2)nc1-c1ccc(C2CC2)cc1.
What is the InChIKey of 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine?
The InChIKey is PHOXMXCUPCTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c18-16-15(19-17(20-16)14-3-1-2-4-14)13-9-7-12(8-10-13)11-5-6-11/h7-11,14H,1-6,18H2.
What are the key properties of 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine?
2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine has a molecular weight of 284.43 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 79972611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).