4-undecan-5-yl-1,2-thiazole

C14H25NS — CID 146406991

IUPAC4-undecan-5-yl-1,2-thiazole
SMILESCCCCCCC(CCCC)c1cnsc1
InChIInChI=1S/C14H25NS/c1-3-5-7-8-10-13(9-6-4-2)14-11-15-16-12-14/h11-13H,3-10H2,1-2H3
InChIKeyIZPMGZDPZGONTB-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.39
Rot. Bonds9

About 4-undecan-5-yl-1,2-thiazole

4-undecan-5-yl-1,2-thiazole (PubChem CID 146406991) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 4-undecan-5-yl-1,2-thiazole.

Molecular Properties

Compound Name4-undecan-5-yl-1,2-thiazole
PubChem CID146406991
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name4-undecan-5-yl-1,2-thiazole
SMILESCCCCCCC(CCCC)c1cnsc1
InChIInChI=1S/C14H25NS/c1-3-5-7-8-10-13(9-6-4-2)14-11-15-16-12-14/h11-13H,3-10H2,1-2H3
InChIKeyIZPMGZDPZGONTB-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.39
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-tetradecan-7-yl-1,2-thiazole
CID 155439564
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
3-dodecan-5-ylpyridine
CID 71051175
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
3-undecan-5-yl-1,2-thiazole
CID 146406954
3-tridecan-7-ylpyridine
CID 129119745
3-decan-5-ylpyridine
CID 170375029
5-decan-5-yl-2-methylpyridine
CID 91157636
10-phenyltetradecan-5-ylbenzene
CID 22891787
5-pentadecan-8-yl-1,2,4-thiadiazole
CID 129212992

Frequently Asked Questions

What is the IUPAC name of 4-undecan-5-yl-1,2-thiazole?
The IUPAC name of 4-undecan-5-yl-1,2-thiazole (CID 146406991) is 4-undecan-5-yl-1,2-thiazole.
What is the SMILES notation for 4-undecan-5-yl-1,2-thiazole?
The canonical SMILES for 4-undecan-5-yl-1,2-thiazole is CCCCCCC(CCCC)c1cnsc1.
What is the InChIKey of 4-undecan-5-yl-1,2-thiazole?
The InChIKey is IZPMGZDPZGONTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-3-5-7-8-10-13(9-6-4-2)14-11-15-16-12-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-undecan-5-yl-1,2-thiazole?
4-undecan-5-yl-1,2-thiazole has a molecular weight of 239.43 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-undecan-5-yl-1,2-thiazole is sourced from PubChem (CID 146406991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).