N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide

C12H15N5OS — CID 91628969

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ccnc1C1CC1
InChIInChI=1S/C12H15N5OS/c1-8-10(19-16-15-8)12(18)14-5-7-17-6-4-13-11(17)9-2-3-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,18)
InChIKeyCMJGUBAKKQUBNT-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 91628969) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID91628969
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ccnc1C1CC1
InChIInChI=1S/C12H15N5OS/c1-8-10(19-16-15-8)12(18)14-5-7-17-6-4-13-11(17)9-2-3-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,18)
InChIKeyCMJGUBAKKQUBNT-UHFFFAOYSA-N
XLogP1.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide (CID 91628969) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCn1ccnc1C1CC1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is CMJGUBAKKQUBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-10(19-16-15-8)12(18)14-5-7-17-6-4-13-11(17)9-2-3-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,18).
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 91628969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).