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

C10H14N6OS — CID 112671955

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cn(C)nc2C)s1
InChIInChI=1S/C10H14N6OS/c1-6-7(5-16(3)15-6)4-12-8(17)9-13-14-10(11-2)18-9/h5H,4H2,1-3H3,(H,11,14)(H,12,17)
InChIKeyBKDPKKNHWWOAKS-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.55
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 112671955) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID112671955
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cn(C)nc2C)s1
InChIInChI=1S/C10H14N6OS/c1-6-7(5-16(3)15-6)4-12-8(17)9-13-14-10(11-2)18-9/h5H,4H2,1-3H3,(H,11,14)(H,12,17)
InChIKeyBKDPKKNHWWOAKS-UHFFFAOYSA-N
XLogP0.55
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 112668776
2,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 104920731
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112669431
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 115991700
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112669931
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112671804
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 19475026
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 112671955) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCc2cn(C)nc2C)s1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BKDPKKNHWWOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-6-7(5-16(3)15-6)4-12-8(17)9-13-14-10(11-2)18-9/h5H,4H2,1-3H3,(H,11,14)(H,12,17).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 112671955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).