1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine

C16H20N2S — CID 54883334

IUPAC1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
SMILESCCc1ncc(CNC(c2ccccc2)C2CC2)s1
InChIInChI=1S/C16H20N2S/c1-2-15-17-10-14(19-15)11-18-16(13-8-9-13)12-6-4-3-5-7-12/h3-7,10,13,16,18H,2,8-9,11H2,1H3
InChIKeyFWBKTVPUYCRMIY-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.95
Rot. Bonds6

About 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine

1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine (PubChem CID 54883334) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
PubChem CID54883334
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
SMILESCCc1ncc(CNC(c2ccccc2)C2CC2)s1
InChIInChI=1S/C16H20N2S/c1-2-15-17-10-14(19-15)11-18-16(13-8-9-13)12-6-4-3-5-7-12/h3-7,10,13,16,18H,2,8-9,11H2,1H3
InChIKeyFWBKTVPUYCRMIY-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine (CID 54883334) is 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine is CCc1ncc(CNC(c2ccccc2)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine?
The InChIKey is FWBKTVPUYCRMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-15-17-10-14(19-15)11-18-16(13-8-9-13)12-6-4-3-5-7-12/h3-7,10,13,16,18H,2,8-9,11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine?
1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 54883334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).