2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine

C16H20N2S — CID 82436095

IUPAC2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1sc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C16H20N2S/c1-16(2,17)15-14(12-8-9-12)18-13(19-15)10-11-6-4-3-5-7-11/h3-7,12H,8-10,17H2,1-2H3
InChIKeyNBPXGDCHVRCLFN-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine

2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine (PubChem CID 82436095) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
PubChem CID82436095
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1sc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C16H20N2S/c1-16(2,17)15-14(12-8-9-12)18-13(19-15)10-11-6-4-3-5-7-11/h3-7,12H,8-10,17H2,1-2H3
InChIKeyNBPXGDCHVRCLFN-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine (CID 82436095) is 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine is CC(C)(N)c1sc(Cc2ccccc2)nc1C1CC1.
What is the InChIKey of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is NBPXGDCHVRCLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-16(2,17)15-14(12-8-9-12)18-13(19-15)10-11-6-4-3-5-7-11/h3-7,12H,8-10,17H2,1-2H3.
What are the key properties of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine?
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 272.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82436095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).