N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide

C24H29N5O3S — CID 162664608

IUPACN-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
SMILESCCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(=O)NC
InChIInChI=1S/C24H29N5O3S/c1-3-17(30)12-8-5-9-13-18(27-23(31)19-14-26-15-33-19)20-21(24(32)25-2)29-22(28-20)16-10-6-4-7-11-16/h4,6-7,10-11,14-15,18H,3,5,8-9,12-13H2,1-2H3,(H,25,32)(H,27,31)(H,28,29)
InChIKeyPLHIZHDQYPUMEN-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.29
Rot. Bonds12

About N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide

N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide (PubChem CID 162664608) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
PubChem CID162664608
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
SMILESCCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(=O)NC
InChIInChI=1S/C24H29N5O3S/c1-3-17(30)12-8-5-9-13-18(27-23(31)19-14-26-15-33-19)20-21(24(32)25-2)29-22(28-20)16-10-6-4-7-11-16/h4,6-7,10-11,14-15,18H,3,5,8-9,12-13H2,1-2H3,(H,25,32)(H,27,31)(H,28,29)
InChIKeyPLHIZHDQYPUMEN-UHFFFAOYSA-N
XLogP4.29
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide (CID 162664608) is N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide is CCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(=O)NC.
What is the InChIKey of N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PLHIZHDQYPUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-3-17(30)12-8-5-9-13-18(27-23(31)19-14-26-15-33-19)20-21(24(32)25-2)29-22(28-20)16-10-6-4-7-11-16/h4,6-7,10-11,14-15,18H,3,5,8-9,12-13H2,1-2H3,(H,25,32)(H,27,31)(H,28,29).
What are the key properties of N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide?
N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 4.29, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methylcarbamoyl)-2-phenyl-1H-imidazol-5-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162664608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).