2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole

C9H13NS — CID 74067620

IUPAC2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
SMILESCCC(C)=Cc1csc(C)n1
InChIInChI=1S/C9H13NS/c1-4-7(2)5-9-6-11-8(3)10-9/h5-6H,4H2,1-3H3
InChIKeyHGJXWAJLDAGMLY-UHFFFAOYSA-N
MW167.28 g/mol
LogP3.26
Rot. Bonds2

About 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole

2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole (PubChem CID 74067620) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
PubChem CID74067620
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
SMILESCCC(C)=Cc1csc(C)n1
InChIInChI=1S/C9H13NS/c1-4-7(2)5-9-6-11-8(3)10-9/h5-6H,4H2,1-3H3
InChIKeyHGJXWAJLDAGMLY-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 79341549
4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
CID 177461796
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-2-one
CID 71356711
(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid
CID 91864729
4-(2,7-dimethyloct-1-en-5-ynyl)-2-methyl-1,3-thiazole
CID 123333500
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 22244458
4-[(Z)-2-fluorohex-1-enyl]-2-methyl-1,3-thiazole
CID 142012890
4-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methyl-1,3-thiazole
CID 79334014
ethyl (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 69362897
2-chloro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 57124336
(E,3S)-3-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
CID 11831158
triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane
CID 90972349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole (CID 74067620) is 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole is CCC(C)=Cc1csc(C)n1.
What is the InChIKey of 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole?
The InChIKey is HGJXWAJLDAGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-7(2)5-9-6-11-8(3)10-9/h5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole?
2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole is sourced from PubChem (CID 74067620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).