3-pentyl-5-phenyl-1,2-thiazole

C14H17NS — CID 10331472

IUPAC3-pentyl-5-phenyl-1,2-thiazole
SMILESCCCCCc1cc(-c2ccccc2)sn1
InChIInChI=1S/C14H17NS/c1-2-3-5-10-13-11-14(16-15-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyZSJNPWVHGQVVIF-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.54
Rot. Bonds5

About 3-pentyl-5-phenyl-1,2-thiazole

3-pentyl-5-phenyl-1,2-thiazole (PubChem CID 10331472) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-pentyl-5-phenyl-1,2-thiazole.

Molecular Properties

Compound Name3-pentyl-5-phenyl-1,2-thiazole
PubChem CID10331472
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name3-pentyl-5-phenyl-1,2-thiazole
SMILESCCCCCc1cc(-c2ccccc2)sn1
InChIInChI=1S/C14H17NS/c1-2-3-5-10-13-11-14(16-15-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyZSJNPWVHGQVVIF-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.54
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

1,2-Benzisothiazole, 3-methyl-
CID 80321
3-Methyl-5-phenyl-1,2-thiazole
CID 600269
3-Phenyl-1,2-thiazol-5-amine
CID 12603879
5-Phenylisothiazole
CID 265813
(3-Phenyl-1,2-thiazol-5-yl)methanamine
CID 65814892
3-Methyl-5-[(1-methylpiperidin-4-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
CID 44457563
(3-Methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 44457760
3-Methyl-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2-thiazole
CID 44457761
3-Methyl-5-[(1-methylpiperidin-4-ylidene)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
CID 44457887
5-(4-Methylphenyl)-1,2-thiazole
CID 270012
3-Phenylisothiazole
CID 595044
4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-
CID 608189

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-5-phenyl-1,2-thiazole?
The IUPAC name of 3-pentyl-5-phenyl-1,2-thiazole (CID 10331472) is 3-pentyl-5-phenyl-1,2-thiazole.
What is the SMILES notation for 3-pentyl-5-phenyl-1,2-thiazole?
The canonical SMILES for 3-pentyl-5-phenyl-1,2-thiazole is CCCCCc1cc(-c2ccccc2)sn1.
What is the InChIKey of 3-pentyl-5-phenyl-1,2-thiazole?
The InChIKey is ZSJNPWVHGQVVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-2-3-5-10-13-11-14(16-15-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3.
What are the key properties of 3-pentyl-5-phenyl-1,2-thiazole?
3-pentyl-5-phenyl-1,2-thiazole has a molecular weight of 231.36 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-5-phenyl-1,2-thiazole is sourced from PubChem (CID 10331472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).