N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide

C12H17N5OS — CID 47326755

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cnns2)n1
InChIInChI=1S/C12H17N5OS/c1-8(7-17-10(3)4-9(2)15-17)5-13-12(18)11-6-14-16-19-11/h4,6,8H,5,7H2,1-3H3,(H,13,18)
InChIKeyYSYYBFNNDXZATG-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.42
Rot. Bonds5

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

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide (PubChem CID 47326755) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide
PubChem CID47326755
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cnns2)n1
InChIInChI=1S/C12H17N5OS/c1-8(7-17-10(3)4-9(2)15-17)5-13-12(18)11-6-14-16-19-11/h4,6,8H,5,7H2,1-3H3,(H,13,18)
InChIKeyYSYYBFNNDXZATG-UHFFFAOYSA-N
XLogP1.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide (CID 47326755) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)c2cnns2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide?
The InChIKey is YSYYBFNNDXZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8(7-17-10(3)4-9(2)15-17)5-13-12(18)11-6-14-16-19-11/h4,6,8H,5,7H2,1-3H3,(H,13,18).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47326755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).