4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole

C17H31NS — CID 134218387

IUPAC4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole
SMILESCCCCCCCC(C)C(CC)Cc1ncsc1C
InChIInChI=1S/C17H31NS/c1-5-7-8-9-10-11-14(3)16(6-2)12-17-15(4)19-13-18-17/h13-14,16H,5-12H2,1-4H3
InChIKeyFDUBPACFIWCVKB-UHFFFAOYSA-N
MW281.51 g/mol
LogP6.02
Rot. Bonds10

About 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole

4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole (PubChem CID 134218387) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole
PubChem CID134218387
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole
SMILESCCCCCCCC(C)C(CC)Cc1ncsc1C
InChIInChI=1S/C17H31NS/c1-5-7-8-9-10-11-14(3)16(6-2)12-17-15(4)19-13-18-17/h13-14,16H,5-12H2,1-4H3
InChIKeyFDUBPACFIWCVKB-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-octyl-1,3-thiazole
CID 166842414
8-ethyl-7-methylhexadecane
CID 56974440
1-(4-methyl-1,3-thiazol-5-yl)nonan-1-ol
CID 105085734
8-methyl-7-pentylhexadecane
CID 123739023
9,10-diethyloctadecane
CID 530164
9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
5,6-diethyldodecane
CID 90761715
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole (CID 134218387) is 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole is CCCCCCCC(C)C(CC)Cc1ncsc1C.
What is the InChIKey of 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole?
The InChIKey is FDUBPACFIWCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-5-7-8-9-10-11-14(3)16(6-2)12-17-15(4)19-13-18-17/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole?
4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole has a molecular weight of 281.51 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 134218387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).