4-(2-chloroethenyl)-2-methyl-1,3-thiazole

C6H6ClNS — CID 141028514

IUPAC4-(2-chloroethenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C=CCl)cs1
InChIInChI=1S/C6H6ClNS/c1-5-8-6(2-3-7)4-9-5/h2-4H,1H3
InChIKeyQDPVUVCORKDDJH-UHFFFAOYSA-N
MW159.64 g/mol
LogP2.66
Rot. Bonds1

About 4-(2-chloroethenyl)-2-methyl-1,3-thiazole

4-(2-chloroethenyl)-2-methyl-1,3-thiazole (PubChem CID 141028514) has the molecular formula C6H6ClNS and a molecular weight of 159.64 g/mol. Its IUPAC name is 4-(2-chloroethenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethenyl)-2-methyl-1,3-thiazole
PubChem CID141028514
Molecular FormulaC6H6ClNS
Molecular Weight159.64 g/mol
Exact Mass158.99
IUPAC Name4-(2-chloroethenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C=CCl)cs1
InChIInChI=1S/C6H6ClNS/c1-5-8-6(2-3-7)4-9-5/h2-4H,1H3
InChIKeyQDPVUVCORKDDJH-UHFFFAOYSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.64
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
CID 76872323
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
2-chloro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 57124336
4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
CID 177461796
(1E,3S)-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
CID 11074318
2-methyl-1,3-thiazole-4-carbaldehyde;oxolane
CID 158730051
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-2-one
CID 71356711
[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
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 47140362

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-chloroethenyl)-2-methyl-1,3-thiazole (CID 141028514) is 4-(2-chloroethenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethenyl)-2-methyl-1,3-thiazole is Cc1nc(C=CCl)cs1.
What is the InChIKey of 4-(2-chloroethenyl)-2-methyl-1,3-thiazole?
The InChIKey is QDPVUVCORKDDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS/c1-5-8-6(2-3-7)4-9-5/h2-4H,1H3.
What are the key properties of 4-(2-chloroethenyl)-2-methyl-1,3-thiazole?
4-(2-chloroethenyl)-2-methyl-1,3-thiazole has a molecular weight of 159.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 141028514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).