4-butan-2-yl-2-methyl-1,3-thiazole

C8H13NS — CID 67665666

IUPAC4-butan-2-yl-2-methyl-1,3-thiazole
SMILESCCC(C)c1csc(C)n1
InChIInChI=1S/C8H13NS/c1-4-6(2)8-5-10-7(3)9-8/h5-6H,4H2,1-3H3
InChIKeyWUZNATZWZNKWBO-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.97
Rot. Bonds2

About 4-butan-2-yl-2-methyl-1,3-thiazole

4-butan-2-yl-2-methyl-1,3-thiazole (PubChem CID 67665666) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-butan-2-yl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-butan-2-yl-2-methyl-1,3-thiazole
PubChem CID67665666
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-butan-2-yl-2-methyl-1,3-thiazole
SMILESCCC(C)c1csc(C)n1
InChIInChI=1S/C8H13NS/c1-4-6(2)8-5-10-7(3)9-8/h5-6H,4H2,1-3H3
InChIKeyWUZNATZWZNKWBO-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61808
4-Ethyl-2-methylthiazole
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2,4-Diethylthiazole
CID 122576
2-Methyl-4-(1-methylethyl)thiazole
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4-Ethyl-2-propylthiazole
CID 521078
4-Methyl-2-propylthiazole
CID 521382
2-Ethyl-4-propylthiazole
CID 53754611
4-Butyl-2-methylthiazole
CID 574804
2,4-Dipropylthiazole
CID 588182
2-Butyl-4-methylthiazole
CID 574807
2-Butyl-4-propylthiazole
CID 55295885

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-methyl-1,3-thiazole?
The IUPAC name of 4-butan-2-yl-2-methyl-1,3-thiazole (CID 67665666) is 4-butan-2-yl-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-butan-2-yl-2-methyl-1,3-thiazole?
The canonical SMILES for 4-butan-2-yl-2-methyl-1,3-thiazole is CCC(C)c1csc(C)n1.
What is the InChIKey of 4-butan-2-yl-2-methyl-1,3-thiazole?
The InChIKey is WUZNATZWZNKWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-6(2)8-5-10-7(3)9-8/h5-6H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-2-methyl-1,3-thiazole?
4-butan-2-yl-2-methyl-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-methyl-1,3-thiazole is sourced from PubChem (CID 67665666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).