4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide

C15H17N7OS — CID 71808203

IUPAC4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C15H17N7OS/c1-2-4-11-12(24-21-20-11)15(23)19-8-10-22-9-7-18-14(22)13-16-5-3-6-17-13/h3,5-7,9H,2,4,8,10H2,1H3,(H,19,23)
InChIKeyXGKUNYMBRWQOGH-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.57
Rot. Bonds7

About 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide

4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 71808203) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID71808203
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C15H17N7OS/c1-2-4-11-12(24-21-20-11)15(23)19-8-10-22-9-7-18-14(22)13-16-5-3-6-17-13/h3,5-7,9H,2,4,8,10H2,1H3,(H,19,23)
InChIKeyXGKUNYMBRWQOGH-UHFFFAOYSA-N
XLogP1.57
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide (CID 71808203) is 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is XGKUNYMBRWQOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-2-4-11-12(24-21-20-11)15(23)19-8-10-22-9-7-18-14(22)13-16-5-3-6-17-13/h3,5-7,9H,2,4,8,10H2,1H3,(H,19,23).
What are the key properties of 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide?
4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71808203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).