5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole

C13H23NS — CID 146378474

IUPAC5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1cc(C)sn1
InChIInChI=1S/C13H23NS/c1-5-7-9-13(4,8-6-2)12-10-11(3)15-14-12/h10H,5-9H2,1-4H3
InChIKeyRWWKFMYHCYTUBS-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.70
Rot. Bonds6

About 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole

5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole (PubChem CID 146378474) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
PubChem CID146378474
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1cc(C)sn1
InChIInChI=1S/C13H23NS/c1-5-7-9-13(4,8-6-2)12-10-11(3)15-14-12/h10H,5-9H2,1-4H3
InChIKeyRWWKFMYHCYTUBS-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378435
4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378496
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378751
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933
3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one
CID 129076949
7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 154936668
2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378447
5-(4-methyldecan-4-yl)-1,3-thiazole
CID 167193600

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
The IUPAC name of 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole (CID 146378474) is 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole.
What is the SMILES notation for 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
The canonical SMILES for 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole is CCCCC(C)(CCC)c1cc(C)sn1.
What is the InChIKey of 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
The InChIKey is RWWKFMYHCYTUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-7-9-13(4,8-6-2)12-10-11(3)15-14-12/h10H,5-9H2,1-4H3.
What are the key properties of 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole has a molecular weight of 225.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole is sourced from PubChem (CID 146378474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).