2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C14H10ClN3O2S2 — CID 1403072

IUPAC2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H10ClN3O2S2/c15-9-3-5-10(6-4-9)21-8-12(19)16-14-18-17-13(22-14)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyVHYDYGWLLBEYCC-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1403072) has the molecular formula C14H10ClN3O2S2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1403072
Molecular FormulaC14H10ClN3O2S2
Molecular Weight351.84 g/mol
Exact Mass350.99
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H10ClN3O2S2/c15-9-3-5-10(6-4-9)21-8-12(19)16-14-18-17-13(22-14)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyVHYDYGWLLBEYCC-UHFFFAOYSA-N
XLogP4.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4248743
2-(4-chlorophenyl)sulfanyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4197981
1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 741055
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
CID 71374888
2-(2,4-difluorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 47024285
2-(4-methylphenyl)sulfanyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201339
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
4-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100552715
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6498039
2-(4-chlorophenyl)sulfanyl-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 22517544
2-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CID 16850541
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1403072) is 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VHYDYGWLLBEYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S2/c15-9-3-5-10(6-4-9)21-8-12(19)16-14-18-17-13(22-14)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 351.84 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1403072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).