4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide

C12H18N6OS — CID 106259622

IUPAC4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2nnc(CC(C)C)s2)c1N
InChIInChI=1S/C12H18N6OS/c1-6(2)5-8-15-16-12(20-8)14-11(19)10-9(13)7(3)17-18(10)4/h6H,5,13H2,1-4H3,(H,14,16,19)
InChIKeyQEEAUNSSUDIYJM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.61
Rot. Bonds4

About 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 106259622) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
PubChem CID106259622
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2nnc(CC(C)C)s2)c1N
InChIInChI=1S/C12H18N6OS/c1-6(2)5-8-15-16-12(20-8)14-11(19)10-9(13)7(3)17-18(10)4/h6H,5,13H2,1-4H3,(H,14,16,19)
InChIKeyQEEAUNSSUDIYJM-UHFFFAOYSA-N
XLogP1.61
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 106259563
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
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3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
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1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
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4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
CID 113287247
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 138993399
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (CID 106259622) is 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2nnc(CC(C)C)s2)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is QEEAUNSSUDIYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-6(2)5-8-15-16-12(20-8)14-11(19)10-9(13)7(3)17-18(10)4/h6H,5,13H2,1-4H3,(H,14,16,19).
What are the key properties of 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 106259622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).