N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

C16H20N2S — CID 53272742

IUPACN-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2cnc(CNC3CC3)s2)cc1
InChIInChI=1S/C16H20N2S/c1-11(2)12-3-5-13(6-4-12)15-9-18-16(19-15)10-17-14-7-8-14/h3-6,9,11,14,17H,7-8,10H2,1-2H3
InChIKeyHVJHONNPXQULJV-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.19
Rot. Bonds5

About N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 53272742) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID53272742
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(-c2cnc(CNC3CC3)s2)cc1
InChIInChI=1S/C16H20N2S/c1-11(2)12-3-5-13(6-4-12)15-9-18-16(19-15)10-17-14-7-8-14/h3-6,9,11,14,17H,7-8,10H2,1-2H3
InChIKeyHVJHONNPXQULJV-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 53272742) is N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is CC(C)c1ccc(-c2cnc(CNC3CC3)s2)cc1.
What is the InChIKey of N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is HVJHONNPXQULJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11(2)12-3-5-13(6-4-12)15-9-18-16(19-15)10-17-14-7-8-14/h3-6,9,11,14,17H,7-8,10H2,1-2H3.
What are the key properties of N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 272.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 53272742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).