4-methyl-2-pentadecylsulfanyl-1,3-thiazole

C19H35NS2 — CID 13217982

IUPAC4-methyl-2-pentadecylsulfanyl-1,3-thiazole
SMILESCCCCCCCCCCCCCCCSc1nc(C)cs1
InChIInChI=1S/C19H35NS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-20-18(2)17-22-19/h17H,3-16H2,1-2H3
InChIKeyPSOYFIGQSIKASF-UHFFFAOYSA-N
MW341.63 g/mol
LogP7.63
Rot. Bonds15

About 4-methyl-2-pentadecylsulfanyl-1,3-thiazole

4-methyl-2-pentadecylsulfanyl-1,3-thiazole (PubChem CID 13217982) has the molecular formula C19H35NS2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-methyl-2-pentadecylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pentadecylsulfanyl-1,3-thiazole
PubChem CID13217982
Molecular FormulaC19H35NS2
Molecular Weight341.63 g/mol
Exact Mass341.22
IUPAC Name4-methyl-2-pentadecylsulfanyl-1,3-thiazole
SMILESCCCCCCCCCCCCCCCSc1nc(C)cs1
InChIInChI=1S/C19H35NS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-20-18(2)17-22-19/h17H,3-16H2,1-2H3
InChIKeyPSOYFIGQSIKASF-UHFFFAOYSA-N
XLogP7.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-(tributylstannyl)-1,3-thiazole
CID 16427130
4-Methyl-2-(methylsulfanyl)-1,3-thiazole
CID 22156633
2-Ethylsulfanyl-4-methyl-1,3-thiazole
CID 350823
5-Butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin
CID 178077119
2-Hexyl-4-methyl-thiazole
CID 23129769
2-Heptyl-4-methyl-thiazole
CID 57960369
2-(3-Fluoropropylsulfanyl)-4-methyl-1,3-thiazole
CID 131206904
(4-Methyl-1,3-thiazol-2-yl) thiohypofluorite
CID 143224535
Trimethyl-(4-methyl-1,3-thiazol-2-yl)stannane
CID 11265485
2-Butylsulfanyl-4-methyl-1,3-thiazole
CID 12214737
4-Methyl-2-(propylthio)thiazole
CID 20719812
4-(2,2-Dimethylpropylsulfanylmethyl)-2-methyl-1,3-thiazole
CID 21060287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentadecylsulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-pentadecylsulfanyl-1,3-thiazole (CID 13217982) is 4-methyl-2-pentadecylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pentadecylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pentadecylsulfanyl-1,3-thiazole is CCCCCCCCCCCCCCCSc1nc(C)cs1.
What is the InChIKey of 4-methyl-2-pentadecylsulfanyl-1,3-thiazole?
The InChIKey is PSOYFIGQSIKASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-20-18(2)17-22-19/h17H,3-16H2,1-2H3.
What are the key properties of 4-methyl-2-pentadecylsulfanyl-1,3-thiazole?
4-methyl-2-pentadecylsulfanyl-1,3-thiazole has a molecular weight of 341.63 g/mol, XLogP of 7.63, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentadecylsulfanyl-1,3-thiazole is sourced from PubChem (CID 13217982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).