N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide

C12H17N5OS — CID 52992835

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ccnc1C
InChIInChI=1S/C12H17N5OS/c1-3-4-10-11(19-16-15-10)12(18)14-6-8-17-7-5-13-9(17)2/h5,7H,3-4,6,8H2,1-2H3,(H,14,18)
InChIKeyLWAIRYVXBFGHPP-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.43
Rot. Bonds6

About N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide

N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 52992835) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID52992835
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCn1ccnc1C
InChIInChI=1S/C12H17N5OS/c1-3-4-10-11(19-16-15-10)12(18)14-6-8-17-7-5-13-9(17)2/h5,7H,3-4,6,8H2,1-2H3,(H,14,18)
InChIKeyLWAIRYVXBFGHPP-UHFFFAOYSA-N
XLogP1.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide (CID 52992835) is N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCn1ccnc1C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is LWAIRYVXBFGHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-3-4-10-11(19-16-15-10)12(18)14-6-8-17-7-5-13-9(17)2/h5,7H,3-4,6,8H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 52992835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).