2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H27N5OS — CID 86907817

IUPAC2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)Sc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C21H27N5OS/c1-13(2)17-7-9-18(10-8-17)26-12-11-22-21(26)28-16(5)20(27)23-19-14(3)24-25(6)15(19)4/h7-13,16H,1-6H3,(H,23,27)
InChIKeyYJRTYNFUTBCSMC-UHFFFAOYSA-N
MW397.55 g/mol
LogP4.47
Rot. Bonds6

About 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 86907817) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID86907817
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC Name2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)Sc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C21H27N5OS/c1-13(2)17-7-9-18(10-8-17)26-12-11-22-21(26)28-16(5)20(27)23-19-14(3)24-25(6)15(19)4/h7-13,16H,1-6H3,(H,23,27)
InChIKeyYJRTYNFUTBCSMC-UHFFFAOYSA-N
XLogP4.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
CID 46675872
(2R)-2-(4-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8647899
N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 60519612
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 60519647
(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8845102
(2R)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8841298
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42897188
(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8883520
2-(2,5-dichlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610623
(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8743033
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60614414
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 86907817) is 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)Sc1nccn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is YJRTYNFUTBCSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-13(2)17-7-9-18(10-8-17)26-12-11-22-21(26)28-16(5)20(27)23-19-14(3)24-25(6)15(19)4/h7-13,16H,1-6H3,(H,23,27).
What are the key properties of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 397.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 86907817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).