5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C12H10ClN3OS3 — CID 30011608

IUPAC5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(CSc2nnc(NCc3ccco3)s2)s1
InChIInChI=1S/C12H10ClN3OS3/c13-10-4-3-9(19-10)7-18-12-16-15-11(20-12)14-6-8-2-1-5-17-8/h1-5H,6-7H2,(H,14,15)
InChIKeyLTGZAZFUQLJHTB-UHFFFAOYSA-N
MW343.89 g/mol
LogP4.75
Rot. Bonds6

About 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 30011608) has the molecular formula C12H10ClN3OS3 and a molecular weight of 343.89 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID30011608
Molecular FormulaC12H10ClN3OS3
Molecular Weight343.89 g/mol
Exact Mass342.97
IUPAC Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(CSc2nnc(NCc3ccco3)s2)s1
InChIInChI=1S/C12H10ClN3OS3/c13-10-4-3-9(19-10)7-18-12-16-15-11(20-12)14-6-8-2-1-5-17-8/h1-5H,6-7H2,(H,14,15)
InChIKeyLTGZAZFUQLJHTB-UHFFFAOYSA-N
XLogP4.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 26027980
N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46531297
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 16605735
5-benzhydrylsulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 26027408
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879521
N-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 26027276
N-(furan-2-ylmethyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 26027813
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 36808968
methyl 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 51289568
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 51210249
N-(furan-2-ylmethyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 55631222
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 27924506

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 30011608) is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine is Clc1ccc(CSc2nnc(NCc3ccco3)s2)s1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LTGZAZFUQLJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS3/c13-10-4-3-9(19-10)7-18-12-16-15-11(20-12)14-6-8-2-1-5-17-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 343.89 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 30011608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).