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

C10H14ClNS — CID 102641983

IUPAC2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole
SMILESC=CC(C)(CCl)Cc1nc(C)cs1
InChIInChI=1S/C10H14ClNS/c1-4-10(3,7-11)5-9-12-8(2)6-13-9/h4,6H,1,5,7H2,2-3H3
InChIKeyGBDBCGAXEVCGPI-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.43
Rot. Bonds4

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

2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole (PubChem CID 102641983) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole
PubChem CID102641983
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole
SMILESC=CC(C)(CCl)Cc1nc(C)cs1
InChIInChI=1S/C10H14ClNS/c1-4-10(3,7-11)5-9-12-8(2)6-13-9/h4,6H,1,5,7H2,2-3H3
InChIKeyGBDBCGAXEVCGPI-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
CID 104656324
ethyl 2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-enoate
CID 102639208
4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 167073977
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
CID 67878325
2-ethyl-4-methyl-1,3-thiazole
CID 27440
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methylbenzene
CID 102642000
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
2,5-dichloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115755781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole (CID 102641983) is 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole is C=CC(C)(CCl)Cc1nc(C)cs1.
What is the InChIKey of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole?
The InChIKey is GBDBCGAXEVCGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-4-10(3,7-11)5-9-12-8(2)6-13-9/h4,6H,1,5,7H2,2-3H3.
What are the key properties of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole?
2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole has a molecular weight of 215.75 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-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 102641983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).