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

C8H10N6OS — CID 82875126

IUPAC5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCn1ccc(CNC(=O)c2nnc(N)s2)n1
InChIInChI=1S/C8H10N6OS/c1-14-3-2-5(13-14)4-10-6(15)7-11-12-8(9)16-7/h2-3H,4H2,1H3,(H2,9,12)(H,10,15)
InChIKeyPGYKJUZSXIGOFC-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.22
Rot. Bonds3

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

5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 82875126) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID82875126
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCn1ccc(CNC(=O)c2nnc(N)s2)n1
InChIInChI=1S/C8H10N6OS/c1-14-3-2-5(13-14)4-10-6(15)7-11-12-8(9)16-7/h2-3H,4H2,1H3,(H2,9,12)(H,10,15)
InChIKeyPGYKJUZSXIGOFC-UHFFFAOYSA-N
XLogP-0.22
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82874567
1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 82873730
6-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 103543335

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 82875126) is 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cn1ccc(CNC(=O)c2nnc(N)s2)n1.
What is the InChIKey of 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PGYKJUZSXIGOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-14-3-2-5(13-14)4-10-6(15)7-11-12-8(9)16-7/h2-3H,4H2,1H3,(H2,9,12)(H,10,15).
What are the key properties of 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 238.28 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 82875126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).