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

C17H30N2OS — CID 116774276

IUPACN-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(C2(OCC)CCCCC2)nc1C
InChIInChI=1S/C17H30N2OS/c1-5-12-18-13(3)15-14(4)19-16(21-15)17(20-6-2)10-8-7-9-11-17/h13,18H,5-12H2,1-4H3
InChIKeyXNKMNWGYSGPIEK-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.71
Rot. Bonds7

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

N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 116774276) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID116774276
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(C2(OCC)CCCCC2)nc1C
InChIInChI=1S/C17H30N2OS/c1-5-12-18-13(3)15-14(4)19-16(21-15)17(20-6-2)10-8-7-9-11-17/h13,18H,5-12H2,1-4H3
InChIKeyXNKMNWGYSGPIEK-UHFFFAOYSA-N
XLogP4.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
1-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 104611581
4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 80610580
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine
CID 64677694
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903159
N-[1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 107459734
N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63690382
N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 80684801

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 116774276) is N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(C2(OCC)CCCCC2)nc1C.
What is the InChIKey of N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is XNKMNWGYSGPIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-12-18-13(3)15-14(4)19-16(21-15)17(20-6-2)10-8-7-9-11-17/h13,18H,5-12H2,1-4H3.
What are the key properties of N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 116774276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).