4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole

C7H8BrNS — CID 177461796

IUPAC4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
SMILESC/C(Br)=C/c1csc(C)n1
InChIInChI=1S/C7H8BrNS/c1-5(8)3-7-4-10-6(2)9-7/h3-4H,1-2H3/b5-3-
InChIKeyCJZFATHDPISQNK-HYXAFXHYSA-N
MW218.12 g/mol
LogP3.21
Rot. Bonds1

About 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole

4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole (PubChem CID 177461796) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
PubChem CID177461796
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
SMILESC/C(Br)=C/c1csc(C)n1
InChIInChI=1S/C7H8BrNS/c1-5(8)3-7-4-10-6(2)9-7/h3-4H,1-2H3/b5-3-
InChIKeyCJZFATHDPISQNK-HYXAFXHYSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
CID 74067620
2-chloro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 57124336
4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
CID 79322364
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 22244458
2-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 79341549
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
CID 76872323
4-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methyl-1,3-thiazole
CID 79334014
(E,3S)-3-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
CID 11831158
3-[(E)-1-bromo-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1H-pyridin-2-one
CID 11645068
4-[(Z)-2-fluorohex-1-enyl]-2-methyl-1,3-thiazole
CID 142012890

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole (CID 177461796) is 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole is C/C(Br)=C/c1csc(C)n1.
What is the InChIKey of 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole?
The InChIKey is CJZFATHDPISQNK-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H8BrNS/c1-5(8)3-7-4-10-6(2)9-7/h3-4H,1-2H3/b5-3-.
What are the key properties of 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole?
4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole has a molecular weight of 218.12 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 177461796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).