N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide

C13H17N5OS — CID 47418901

IUPACN-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H17N5OS/c1-5-9-10(20-18-17-9)11(19)16-8-6-14-12(15-7-8)13(2,3)4/h6-7H,5H2,1-4H3,(H,16,19)
InChIKeyHDFRYNPULQJAPD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.44
Rot. Bonds3

About N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide

N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 47418901) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID47418901
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H17N5OS/c1-5-9-10(20-18-17-9)11(19)16-8-6-14-12(15-7-8)13(2,3)4/h6-7H,5H2,1-4H3,(H,16,19)
InChIKeyHDFRYNPULQJAPD-UHFFFAOYSA-N
XLogP2.44
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide (CID 47418901) is N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is HDFRYNPULQJAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-5-9-10(20-18-17-9)11(19)16-8-6-14-12(15-7-8)13(2,3)4/h6-7H,5H2,1-4H3,(H,16,19).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide?
N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 47418901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).