5-(4-methyldecan-4-yl)-1,3-thiazole

C14H25NS — CID 167193600

IUPAC5-(4-methyldecan-4-yl)-1,3-thiazole
SMILESCCCCCCC(C)(CCC)c1cncs1
InChIInChI=1S/C14H25NS/c1-4-6-7-8-10-14(3,9-5-2)13-11-15-12-16-13/h11-12H,4-10H2,1-3H3
InChIKeyRSYQDWYWEDSOKK-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.17
Rot. Bonds8

About 5-(4-methyldecan-4-yl)-1,3-thiazole

5-(4-methyldecan-4-yl)-1,3-thiazole (PubChem CID 167193600) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 5-(4-methyldecan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methyldecan-4-yl)-1,3-thiazole
PubChem CID167193600
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name5-(4-methyldecan-4-yl)-1,3-thiazole
SMILESCCCCCCC(C)(CCC)c1cncs1
InChIInChI=1S/C14H25NS/c1-4-6-7-8-10-14(3,9-5-2)13-11-15-12-16-13/h11-12H,4-10H2,1-3H3
InChIKeyRSYQDWYWEDSOKK-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.17
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

2-(6-methyltridecan-6-yl)thiophene
CID 139342178
4-(5-methylundecan-5-yl)pyridine
CID 146178387
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
2-fluoro-4-(4-methyldecan-4-yl)pyridine
CID 166909360
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933
2-(3-methylnonan-3-yl)pyrazine
CID 139342316

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyldecan-4-yl)-1,3-thiazole?
The IUPAC name of 5-(4-methyldecan-4-yl)-1,3-thiazole (CID 167193600) is 5-(4-methyldecan-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(4-methyldecan-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(4-methyldecan-4-yl)-1,3-thiazole is CCCCCCC(C)(CCC)c1cncs1.
What is the InChIKey of 5-(4-methyldecan-4-yl)-1,3-thiazole?
The InChIKey is RSYQDWYWEDSOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-6-7-8-10-14(3,9-5-2)13-11-15-12-16-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-(4-methyldecan-4-yl)-1,3-thiazole?
5-(4-methyldecan-4-yl)-1,3-thiazole has a molecular weight of 239.43 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyldecan-4-yl)-1,3-thiazole is sourced from PubChem (CID 167193600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).