1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine

C20H28N2OS — CID 146000035

IUPAC1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OCc1cscn1
InChIInChI=1S/C20H28N2OS/c1-16(11-17-7-3-2-4-8-17)21-12-18-9-5-6-10-20(18)23-13-19-14-24-15-22-19/h5-6,9-10,14-17,21H,2-4,7-8,11-13H2,1H3
InChIKeyPNRWWDUJFFLBGE-UHFFFAOYSA-N
MW344.52 g/mol
LogP5.17
Rot. Bonds8

About 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine

1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 146000035) has the molecular formula C20H28N2OS and a molecular weight of 344.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID146000035
Molecular FormulaC20H28N2OS
Molecular Weight344.52 g/mol
Exact Mass344.19
IUPAC Name1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OCc1cscn1
InChIInChI=1S/C20H28N2OS/c1-16(11-17-7-3-2-4-8-17)21-12-18-9-5-6-10-20(18)23-13-19-14-24-15-22-19/h5-6,9-10,14-17,21H,2-4,7-8,11-13H2,1H3
InChIKeyPNRWWDUJFFLBGE-UHFFFAOYSA-N
XLogP5.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine (CID 146000035) is 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine is CC(CC1CCCCC1)NCc1ccccc1OCc1cscn1.
What is the InChIKey of 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is PNRWWDUJFFLBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2OS/c1-16(11-17-7-3-2-4-8-17)21-12-18-9-5-6-10-20(18)23-13-19-14-24-15-22-19/h5-6,9-10,14-17,21H,2-4,7-8,11-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 344.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 146000035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).