2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide

C15H22N4OS — CID 122493395

IUPAC2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide
SMILESCN(C(=O)C1CN=C(SCC2CC2)N1C)C1=CNCC=C1
InChIInChI=1S/C15H22N4OS/c1-18(12-4-3-7-16-8-12)14(20)13-9-17-15(19(13)2)21-10-11-5-6-11/h3-4,8,11,13,16H,5-7,9-10H2,1-2H3
InChIKeyKQUOEWHZBUVKFK-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.26
Rot. Bonds4

About 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide

2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide (PubChem CID 122493395) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide
PubChem CID122493395
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide
SMILESCN(C(=O)C1CN=C(SCC2CC2)N1C)C1=CNCC=C1
InChIInChI=1S/C15H22N4OS/c1-18(12-4-3-7-16-8-12)14(20)13-9-17-15(19(13)2)21-10-11-5-6-11/h3-4,8,11,13,16H,5-7,9-10H2,1-2H3
InChIKeyKQUOEWHZBUVKFK-UHFFFAOYSA-N
XLogP1.26
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide (CID 122493395) is 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide is CN(C(=O)C1CN=C(SCC2CC2)N1C)C1=CNCC=C1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide?
The InChIKey is KQUOEWHZBUVKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-18(12-4-3-7-16-8-12)14(20)13-9-17-15(19(13)2)21-10-11-5-6-11/h3-4,8,11,13,16H,5-7,9-10H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide?
2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-N-(1,2-dihydropyridin-5-yl)-N,3-dimethyl-4,5-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 122493395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).