N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine

C15H20N2S — CID 11971060

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine
SMILESCc1ncsc1CCNC(C)Cc1ccccc1
InChIInChI=1S/C15H20N2S/c1-12(10-14-6-4-3-5-7-14)16-9-8-15-13(2)17-11-18-15/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyRDCKLHJBBVJKRL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine (PubChem CID 11971060) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine
PubChem CID11971060
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine
SMILESCc1ncsc1CCNC(C)Cc1ccccc1
InChIInChI=1S/C15H20N2S/c1-12(10-14-6-4-3-5-7-14)16-9-8-15-13(2)17-11-18-15/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyRDCKLHJBBVJKRL-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine (CID 11971060) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine is Cc1ncsc1CCNC(C)Cc1ccccc1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine?
The InChIKey is RDCKLHJBBVJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(10-14-6-4-3-5-7-14)16-9-8-15-13(2)17-11-18-15/h3-7,11-12,16H,8-10H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 11971060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).