2-methyl-5-(3-methylpentyl)-1,3-thiazole

C10H17NS — CID 90806194

IUPAC2-methyl-5-(3-methylpentyl)-1,3-thiazole
SMILESCCC(C)CCc1cnc(C)s1
InChIInChI=1S/C10H17NS/c1-4-8(2)5-6-10-7-11-9(3)12-10/h7-8H,4-6H2,1-3H3
InChIKeyINFNCAJAFKNZEH-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.43
Rot. Bonds4

About 2-methyl-5-(3-methylpentyl)-1,3-thiazole

2-methyl-5-(3-methylpentyl)-1,3-thiazole (PubChem CID 90806194) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-methyl-5-(3-methylpentyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(3-methylpentyl)-1,3-thiazole
PubChem CID90806194
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-methyl-5-(3-methylpentyl)-1,3-thiazole
SMILESCCC(C)CCc1cnc(C)s1
InChIInChI=1S/C10H17NS/c1-4-8(2)5-6-10-7-11-9(3)12-10/h7-8H,4-6H2,1-3H3
InChIKeyINFNCAJAFKNZEH-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
CID 61282170
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hept-6-en-3-amine
CID 115895011
5-but-3-enyl-2-methyl-1,3-thiazole
CID 145451316
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607
3-methyl-4-(2-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 82406413
1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110747788
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 104599843
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-ol
CID 66057736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylpentyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(3-methylpentyl)-1,3-thiazole (CID 90806194) is 2-methyl-5-(3-methylpentyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(3-methylpentyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(3-methylpentyl)-1,3-thiazole is CCC(C)CCc1cnc(C)s1.
What is the InChIKey of 2-methyl-5-(3-methylpentyl)-1,3-thiazole?
The InChIKey is INFNCAJAFKNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-8(2)5-6-10-7-11-9(3)12-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methylpentyl)-1,3-thiazole?
2-methyl-5-(3-methylpentyl)-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylpentyl)-1,3-thiazole is sourced from PubChem (CID 90806194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).