5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one

C13H23NOS — CID 129214742

IUPAC5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one
SMILESCCCCCCC(C)(CC)c1c[nH]c(=O)s1
InChIInChI=1S/C13H23NOS/c1-4-6-7-8-9-13(3,5-2)11-10-14-12(15)16-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyZHUXRNUTRCGZEZ-UHFFFAOYSA-N
MW241.40 g/mol
LogP4.07
Rot. Bonds7

About 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one

5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 129214742) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one
PubChem CID129214742
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one
SMILESCCCCCCC(C)(CC)c1c[nH]c(=O)s1
InChIInChI=1S/C13H23NOS/c1-4-6-7-8-9-13(3,5-2)11-10-14-12(15)16-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyZHUXRNUTRCGZEZ-UHFFFAOYSA-N
XLogP4.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
2-bromo-3-(5-methyldodecan-5-yl)-1H-pyrrole
CID 146376830
3-(3-methylnonan-3-yl)-1,2,4-thiadiazole
CID 166645014
2-(6-methyltridecan-6-yl)thiophene
CID 139342178
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710
2-(3-methylnonan-3-yl)thiophene-3-carboxylic acid
CID 138747060
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
nonane-1,1,1-triamine
CID 18954154

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one (CID 129214742) is 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one is CCCCCCC(C)(CC)c1c[nH]c(=O)s1.
What is the InChIKey of 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is ZHUXRNUTRCGZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-6-7-8-9-13(3,5-2)11-10-14-12(15)16-11/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one?
5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 241.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 129214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).