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

C7H8BrNS — CID 79322364

IUPAC4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C=CCBr)cs1
InChIInChI=1S/C7H8BrNS/c1-6-9-7(5-10-6)3-2-4-8/h2-3,5H,4H2,1H3
InChIKeyILKJVPQOEGZCFH-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.86
Rot. Bonds2

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

4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole (PubChem CID 79322364) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
PubChem CID79322364
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C=CCBr)cs1
InChIInChI=1S/C7H8BrNS/c1-6-9-7(5-10-6)3-2-4-8/h2-3,5H,4H2,1H3
InChIKeyILKJVPQOEGZCFH-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 22244458
4-(2-chloroethenyl)-2-methyl-1,3-thiazole
CID 141028514
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
CID 79340971
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
2-methyl-4-(2-methylbut-1-enyl)-1,3-thiazole
CID 74067620
3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine
CID 169474840
(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
CID 11074318
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
2-(3-bromoprop-1-enyl)-6-methylpyridine
CID 169475003
[3-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 24671230

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole (CID 79322364) is 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole is Cc1nc(C=CCBr)cs1.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole?
The InChIKey is ILKJVPQOEGZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS/c1-6-9-7(5-10-6)3-2-4-8/h2-3,5H,4H2,1H3.
What are the key properties of 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole?
4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole has a molecular weight of 218.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 79322364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).