N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide

C13H17N5OS — CID 56867614

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C13H17N5OS/c1-3-9-11(20-17-16-9)13(19)15-10(8-4-5-8)12-14-6-7-18(12)2/h6-8,10H,3-5H2,1-2H3,(H,15,19)
InChIKeyWZPNWOFUSFHEPB-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.72
Rot. Bonds5

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 56867614) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID56867614
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C13H17N5OS/c1-3-9-11(20-17-16-9)13(19)15-10(8-4-5-8)12-14-6-7-18(12)2/h6-8,10H,3-5H2,1-2H3,(H,15,19)
InChIKeyWZPNWOFUSFHEPB-UHFFFAOYSA-N
XLogP1.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide (CID 56867614) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(c1nccn1C)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is WZPNWOFUSFHEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-9-11(20-17-16-9)13(19)15-10(8-4-5-8)12-14-6-7-18(12)2/h6-8,10H,3-5H2,1-2H3,(H,15,19).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 56867614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).