(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole

C7H6BrNS — CID 126700094

IUPAC(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole
SMILESC=C/C(Br)=c1/scnc1=C
InChIInChI=1S/C7H6BrNS/c1-3-6(8)7-5(2)9-4-10-7/h3-4H,1-2H2/b7-6-
InChIKeyQVNWBKJXJIZRCA-SREVYHEPSA-N
MW216.10 g/mol
LogP1.24
Rot. Bonds1

About (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole

(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole (PubChem CID 126700094) has the molecular formula C7H6BrNS and a molecular weight of 216.10 g/mol. Its IUPAC name is (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole
PubChem CID126700094
Molecular FormulaC7H6BrNS
Molecular Weight216.10 g/mol
Exact Mass214.94
IUPAC Name(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole
SMILESC=C/C(Br)=c1/scnc1=C
InChIInChI=1S/C7H6BrNS/c1-3-6(8)7-5(2)9-4-10-7/h3-4H,1-2H2/b7-6-
InChIKeyQVNWBKJXJIZRCA-SREVYHEPSA-N
XLogP1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole?
The IUPAC name of (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole (CID 126700094) is (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole?
The canonical SMILES for (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole is C=C/C(Br)=c1/scnc1=C.
What is the InChIKey of (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole?
The InChIKey is QVNWBKJXJIZRCA-SREVYHEPSA-N. The full InChI is InChI=1S/C7H6BrNS/c1-3-6(8)7-5(2)9-4-10-7/h3-4H,1-2H2/b7-6-.
What are the key properties of (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole?
(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole has a molecular weight of 216.10 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole is sourced from PubChem (CID 126700094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).