4-(3-chloroprop-2-enyl)thiadiazole

C5H5ClN2S — CID 173439544

IUPAC4-(3-chloroprop-2-enyl)thiadiazole
SMILESClC=CCc1csnn1
InChIInChI=1S/C5H5ClN2S/c6-3-1-2-5-4-9-8-7-5/h1,3-4H,2H2
InChIKeyFZQFCCSNUZZLQF-UHFFFAOYSA-N
MW160.63 g/mol
LogP1.83
Rot. Bonds2

About 4-(3-chloroprop-2-enyl)thiadiazole

4-(3-chloroprop-2-enyl)thiadiazole (PubChem CID 173439544) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 4-(3-chloroprop-2-enyl)thiadiazole.

Molecular Properties

Compound Name4-(3-chloroprop-2-enyl)thiadiazole
PubChem CID173439544
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name4-(3-chloroprop-2-enyl)thiadiazole
SMILESClC=CCc1csnn1
InChIInChI=1S/C5H5ClN2S/c6-3-1-2-5-4-9-8-7-5/h1,3-4H,2H2
InChIKeyFZQFCCSNUZZLQF-UHFFFAOYSA-N
XLogP1.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Chloroethyl)-1,2,3-thiadiazole
CID 121552983
Ethyl thiadiazole
CID 13427198
4-(2-Chloroethyl)thiadiazole
CID 21832063
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
4-Prop-2-enylthiadiazole
CID 54454030
4-But-3-enylthiadiazole
CID 54540167
4-(1-Chloroprop-2-enyl)thiadiazole
CID 70576360
4-(3-Chloropropyl)-1,2,3-thiadiazole
CID 130550084
4-(3H-dithiol-3-yl)thiadiazole
CID 141258917
1,2-Dichloroethane;4-propan-2-ylthiadiazole
CID 160851276
4-But-2-enylthiadiazole
CID 173412709
4-(1-Chloroethyl)-1,2,3-thiadiazole hydrochloride
CID 122236443

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-2-enyl)thiadiazole?
The IUPAC name of 4-(3-chloroprop-2-enyl)thiadiazole (CID 173439544) is 4-(3-chloroprop-2-enyl)thiadiazole.
What is the SMILES notation for 4-(3-chloroprop-2-enyl)thiadiazole?
The canonical SMILES for 4-(3-chloroprop-2-enyl)thiadiazole is ClC=CCc1csnn1.
What is the InChIKey of 4-(3-chloroprop-2-enyl)thiadiazole?
The InChIKey is FZQFCCSNUZZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c6-3-1-2-5-4-9-8-7-5/h1,3-4H,2H2.
What are the key properties of 4-(3-chloroprop-2-enyl)thiadiazole?
4-(3-chloroprop-2-enyl)thiadiazole has a molecular weight of 160.63 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-2-enyl)thiadiazole is sourced from PubChem (CID 173439544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).