5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine

C14H26N2S — CID 114031706

IUPAC5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cnc(C)s1
InChIInChI=1S/C14H26N2S/c1-5-9-15-13(8-6-7-11(2)3)14-10-16-12(4)17-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyPWCWOWGOCBLPMZ-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.32
Rot. Bonds8

About 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine

5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine (PubChem CID 114031706) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine
PubChem CID114031706
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cnc(C)s1
InChIInChI=1S/C14H26N2S/c1-5-9-15-13(8-6-7-11(2)3)14-10-16-12(4)17-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyPWCWOWGOCBLPMZ-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
N-[1-(2-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 114031683
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine
CID 105177007
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
4-ethoxy-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106786273
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
CID 83161134
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine?
The IUPAC name of 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine (CID 114031706) is 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine?
The canonical SMILES for 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1cnc(C)s1.
What is the InChIKey of 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine?
The InChIKey is PWCWOWGOCBLPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-9-15-13(8-6-7-11(2)3)14-10-16-12(4)17-14/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine?
5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 114031706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).