N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

C16H28N2OS — CID 62443373

IUPACN-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCC1CCCCC1OCc1csc(CNC(C)C)n1
InChIInChI=1S/C16H28N2OS/c1-4-13-7-5-6-8-15(13)19-10-14-11-20-16(18-14)9-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeySCZFVUZQZYDGLR-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.13
Rot. Bonds7

About N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62443373) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62443373
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCCC1CCCCC1OCc1csc(CNC(C)C)n1
InChIInChI=1S/C16H28N2OS/c1-4-13-7-5-6-8-15(13)19-10-14-11-20-16(18-14)9-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeySCZFVUZQZYDGLR-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62443373) is N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CCC1CCCCC1OCc1csc(CNC(C)C)n1.
What is the InChIKey of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is SCZFVUZQZYDGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-13-7-5-6-8-15(13)19-10-14-11-20-16(18-14)9-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62443373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).