4-(3-methylhexan-3-yl)-1,3-thiazole

C10H17NS — CID 90363109

IUPAC4-(3-methylhexan-3-yl)-1,3-thiazole
SMILESCCCC(C)(CC)c1cscn1
InChIInChI=1S/C10H17NS/c1-4-6-10(3,5-2)9-7-12-8-11-9/h7-8H,4-6H2,1-3H3
InChIKeyIZHCKMWTXUMMBZ-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.61
Rot. Bonds4

About 4-(3-methylhexan-3-yl)-1,3-thiazole

4-(3-methylhexan-3-yl)-1,3-thiazole (PubChem CID 90363109) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-(3-methylhexan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylhexan-3-yl)-1,3-thiazole
PubChem CID90363109
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-(3-methylhexan-3-yl)-1,3-thiazole
SMILESCCCC(C)(CC)c1cscn1
InChIInChI=1S/C10H17NS/c1-4-6-10(3,5-2)9-7-12-8-11-9/h7-8H,4-6H2,1-3H3
InChIKeyIZHCKMWTXUMMBZ-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-methylhexan-3-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
2-(1,3-thiazol-4-yl)propan-2-ol
CID 91099145
5-methyl-2-(3-methylhexan-3-yl)pyridine
CID 170075857
2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol
CID 130697684
2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378447
2,4-dimethyl-3-(1,3-thiazol-4-yl)pentan-3-ol
CID 131181656
2-[2-(3-methylhexan-3-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 138574738
2-methyl-N-propyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
CID 62724415
N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62256391
1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
CID 57171667
3-chloro-2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378598

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexan-3-yl)-1,3-thiazole?
The IUPAC name of 4-(3-methylhexan-3-yl)-1,3-thiazole (CID 90363109) is 4-(3-methylhexan-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-methylhexan-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-methylhexan-3-yl)-1,3-thiazole is CCCC(C)(CC)c1cscn1.
What is the InChIKey of 4-(3-methylhexan-3-yl)-1,3-thiazole?
The InChIKey is IZHCKMWTXUMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-6-10(3,5-2)9-7-12-8-11-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-(3-methylhexan-3-yl)-1,3-thiazole?
4-(3-methylhexan-3-yl)-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexan-3-yl)-1,3-thiazole is sourced from PubChem (CID 90363109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).