2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole

C14H12ClN3S3 — CID 18708917

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1
InChIInChI=1S/C14H12ClN3S3/c1-2-3-12-17-18-14(20-12)21-13-16-11(8-19-13)9-4-6-10(15)7-5-9/h4-8H,2-3H2,1H3
InChIKeyMDRDLABYCSDDSA-UHFFFAOYSA-N
MW353.93 g/mol
LogP5.42
Rot. Bonds5

About 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole (PubChem CID 18708917) has the molecular formula C14H12ClN3S3 and a molecular weight of 353.93 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole
PubChem CID18708917
Molecular FormulaC14H12ClN3S3
Molecular Weight353.93 g/mol
Exact Mass352.99
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1
InChIInChI=1S/C14H12ClN3S3/c1-2-3-12-17-18-14(20-12)21-13-16-11(8-19-13)9-4-6-10(15)7-5-9/h4-8H,2-3H2,1H3
InChIKeyMDRDLABYCSDDSA-UHFFFAOYSA-N
XLogP5.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.93
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazol-2-yl]acetate
CID 18708667
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
ethyl 2-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetate
CID 18708830
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
2-ethylsulfanyl-5-propyl-1,3,4-thiadiazole
CID 59817036
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole (CID 18708917) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole is CCCc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole?
The InChIKey is MDRDLABYCSDDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S3/c1-2-3-12-17-18-14(20-12)21-13-16-11(8-19-13)9-4-6-10(15)7-5-9/h4-8H,2-3H2,1H3.
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole has a molecular weight of 353.93 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 18708917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).