4-tetradecan-7-yl-1,2-thiazole

C17H31NS — CID 155439564

IUPAC4-tetradecan-7-yl-1,2-thiazole
SMILESCCCCCCCC(CCCCCC)c1cnsc1
InChIInChI=1S/C17H31NS/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-18-19-15-17/h14-16H,3-13H2,1-2H3
InChIKeyYJVVXEIOSMEMNE-UHFFFAOYSA-N
MW281.51 g/mol
LogP6.56
Rot. Bonds12

About 4-tetradecan-7-yl-1,2-thiazole

4-tetradecan-7-yl-1,2-thiazole (PubChem CID 155439564) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 4-tetradecan-7-yl-1,2-thiazole.

Molecular Properties

Compound Name4-tetradecan-7-yl-1,2-thiazole
PubChem CID155439564
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name4-tetradecan-7-yl-1,2-thiazole
SMILESCCCCCCCC(CCCCCC)c1cnsc1
InChIInChI=1S/C17H31NS/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-18-19-15-17/h14-16H,3-13H2,1-2H3
InChIKeyYJVVXEIOSMEMNE-UHFFFAOYSA-N
XLogP6.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 56.56
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

4-undecan-5-yl-1,2-thiazole
CID 146406991
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
3-tridecan-7-ylpyridine
CID 129119745
3-dodecan-5-ylpyridine
CID 71051175
5-pentadecan-8-yl-1,2,4-thiadiazole
CID 129212992
5-dodecan-6-yl-1,2-thiazole
CID 134557589
4-hexadecan-7-ylphenol
CID 71320883
ethane;4-propan-2-yl-1,2-thiazole
CID 142062830
3-undecan-5-yl-1,2-thiazole
CID 146406954

Frequently Asked Questions

What is the IUPAC name of 4-tetradecan-7-yl-1,2-thiazole?
The IUPAC name of 4-tetradecan-7-yl-1,2-thiazole (CID 155439564) is 4-tetradecan-7-yl-1,2-thiazole.
What is the SMILES notation for 4-tetradecan-7-yl-1,2-thiazole?
The canonical SMILES for 4-tetradecan-7-yl-1,2-thiazole is CCCCCCCC(CCCCCC)c1cnsc1.
What is the InChIKey of 4-tetradecan-7-yl-1,2-thiazole?
The InChIKey is YJVVXEIOSMEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-18-19-15-17/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-tetradecan-7-yl-1,2-thiazole?
4-tetradecan-7-yl-1,2-thiazole has a molecular weight of 281.51 g/mol, XLogP of 6.56, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetradecan-7-yl-1,2-thiazole is sourced from PubChem (CID 155439564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).