4-methyl-2-(3-methylbutyl)-1,3-thiazole

C9H15NS — CID 115641470

IUPAC4-methyl-2-(3-methylbutyl)-1,3-thiazole
SMILESCc1csc(CCC(C)C)n1
InChIInChI=1S/C9H15NS/c1-7(2)4-5-9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3
InChIKeyCQNHANWOQGOCTL-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.04
Rot. Bonds3

About 4-methyl-2-(3-methylbutyl)-1,3-thiazole

4-methyl-2-(3-methylbutyl)-1,3-thiazole (PubChem CID 115641470) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-methylbutyl)-1,3-thiazole
PubChem CID115641470
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-methyl-2-(3-methylbutyl)-1,3-thiazole
SMILESCc1csc(CCC(C)C)n1
InChIInChI=1S/C9H15NS/c1-7(2)4-5-9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3
InChIKeyCQNHANWOQGOCTL-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
CID 67878325
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
2-ethyl-4-methyl-1,3-thiazole
CID 27440
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium
CID 7175910
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024822
1-(3-methylbutyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111097844
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
1-(3-methylbutyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098770
1-ethyl-3-(4-methylpentyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111943351

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbutyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-methylbutyl)-1,3-thiazole (CID 115641470) is 4-methyl-2-(3-methylbutyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-methylbutyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-methylbutyl)-1,3-thiazole is Cc1csc(CCC(C)C)n1.
What is the InChIKey of 4-methyl-2-(3-methylbutyl)-1,3-thiazole?
The InChIKey is CQNHANWOQGOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)4-5-9-10-8(3)6-11-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-(3-methylbutyl)-1,3-thiazole?
4-methyl-2-(3-methylbutyl)-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbutyl)-1,3-thiazole is sourced from PubChem (CID 115641470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).