N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide

C9H9N3O2S — CID 7576752

IUPACN-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccco1
InChIInChI=1S/C9H9N3O2S/c1-6-8(15-12-11-6)9(13)10-5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,13)
InChIKeyXJZNMVOIVOONCF-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.37
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7576752) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID7576752
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC NameN-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccco1
InChIInChI=1S/C9H9N3O2S/c1-6-8(15-12-11-6)9(13)10-5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,13)
InChIKeyXJZNMVOIVOONCF-UHFFFAOYSA-N
XLogP1.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide
CID 95205126
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
CID 45491510
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
N-(furan-2-ylmethyl)acetamide
CID 2394850

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide (CID 7576752) is N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is XJZNMVOIVOONCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6-8(15-12-11-6)9(13)10-5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,13).
What are the key properties of N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).