4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide

C10H13N5OS — CID 146075706

IUPAC4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C10H13N5OS/c1-6(2)15-8(4-5-11-15)12-10(16)9-7(3)13-14-17-9/h4-6H,1-3H3,(H,12,16)
InChIKeyBEPULMSTTRNMIB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.88
Rot. Bonds3

About 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide

4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide (PubChem CID 146075706) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide
PubChem CID146075706
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C10H13N5OS/c1-6(2)15-8(4-5-11-15)12-10(16)9-7(3)13-14-17-9/h4-6H,1-3H3,(H,12,16)
InChIKeyBEPULMSTTRNMIB-UHFFFAOYSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 78772783
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794761
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 30183975
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 47151732
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
3-chloro-N-(2-propan-2-ylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 30183448
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 78835001
1-(3-methyl-1,2-oxazol-4-yl)-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 139021582
5-amino-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 54917197
2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 103606134
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide (CID 146075706) is 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide?
The InChIKey is BEPULMSTTRNMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6(2)15-8(4-5-11-15)12-10(16)9-7(3)13-14-17-9/h4-6H,1-3H3,(H,12,16).
What are the key properties of 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide?
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 146075706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).