5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C9H10N4O2S — CID 80616077

IUPAC5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(N)s1)c1ccco1
InChIInChI=1S/C9H10N4O2S/c1-5(6-3-2-4-15-6)11-7(14)8-12-13-9(10)16-8/h2-5H,1H3,(H2,10,13)(H,11,14)
InChIKeyBFMABDGMJUIIHZ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616077) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616077
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(N)s1)c1ccco1
InChIInChI=1S/C9H10N4O2S/c1-5(6-3-2-4-15-6)11-7(14)8-12-13-9(10)16-8/h2-5H,1H3,(H2,10,13)(H,11,14)
InChIKeyBFMABDGMJUIIHZ-UHFFFAOYSA-N
XLogP1.20
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 10401418
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 106389790
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316387
3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806480
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
3-amino-N-[1-(furan-2-yl)ethyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289175
6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 103874262
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80616077) is 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CC(NC(=O)c1nnc(N)s1)c1ccco1.
What is the InChIKey of 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BFMABDGMJUIIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5(6-3-2-4-15-6)11-7(14)8-12-13-9(10)16-8/h2-5H,1H3,(H2,10,13)(H,11,14).
What are the key properties of 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).