2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide

C12H9N3O2S2 — CID 1224004

IUPAC2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C12H9N3O2S2/c1-7-8(4-5-17-7)10(16)13-12-15-14-11(19-12)9-3-2-6-18-9/h2-6H,1H3,(H,13,15,16)
InChIKeyVQJZHNAEDKHXAA-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide

2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide (PubChem CID 1224004) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
PubChem CID1224004
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Name2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C12H9N3O2S2/c1-7-8(4-5-17-7)10(16)13-12-15-14-11(19-12)9-3-2-6-18-9/h2-6H,1H3,(H,13,15,16)
InChIKeyVQJZHNAEDKHXAA-UHFFFAOYSA-N
XLogP3.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
CID 2881332
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 46822706
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108766428
2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108744057
(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 879449
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 31259022
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 108766306
2-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4252560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide (CID 1224004) is 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide is Cc1occc1C(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
The InChIKey is VQJZHNAEDKHXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c1-7-8(4-5-17-7)10(16)13-12-15-14-11(19-12)9-3-2-6-18-9/h2-6H,1H3,(H,13,15,16).
What are the key properties of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 1224004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).