1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

C17H22N2OS — CID 61338048

IUPAC1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCC(C)Oc1ccc(-c2csc(C3(N)CCCC3)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)20-14-7-5-13(6-8-14)15-11-21-16(19-15)17(18)9-3-4-10-17/h5-8,11-12H,3-4,9-10,18H2,1-2H3
InChIKeyPZQBYZPBQWFTPB-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (PubChem CID 61338048) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
PubChem CID61338048
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCC(C)Oc1ccc(-c2csc(C3(N)CCCC3)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)20-14-7-5-13(6-8-14)15-11-21-16(19-15)17(18)9-3-4-10-17/h5-8,11-12H,3-4,9-10,18H2,1-2H3
InChIKeyPZQBYZPBQWFTPB-UHFFFAOYSA-N
XLogP4.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (CID 61338048) is 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is CC(C)Oc1ccc(-c2csc(C3(N)CCCC3)n2)cc1.
What is the InChIKey of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The InChIKey is PZQBYZPBQWFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)20-14-7-5-13(6-8-14)15-11-21-16(19-15)17(18)9-3-4-10-17/h5-8,11-12H,3-4,9-10,18H2,1-2H3.
What are the key properties of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 61338048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).