N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide

C19H22N6OS — CID 25149613

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1nccs1
InChIInChI=1S/C19H22N6OS/c20-19(23-8-4-7-15-12-21-13-24-15)25-17(26)11-16(18-22-9-10-27-18)14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,21,24)(H3,20,23,25,26)
InChIKeySGQYOPBUMICDBU-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.45
Rot. Bonds8

About N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide (PubChem CID 25149613) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide
PubChem CID25149613
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1nccs1
InChIInChI=1S/C19H22N6OS/c20-19(23-8-4-7-15-12-21-13-24-15)25-17(26)11-16(18-22-9-10-27-18)14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,21,24)(H3,20,23,25,26)
InChIKeySGQYOPBUMICDBU-UHFFFAOYSA-N
XLogP2.45
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

UR-PG131A
CID 25149704
N-[4-[4-[(2-Amino-1H-imidazol-5-yl)methyl]phenethyl]thiazol-2-yl]acetamide Hydrochloride
CID 71713910
(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 155515737
US12331044, Example 6
CID 155925141
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1080938
2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 1248586
2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole
CID 10567030
5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole
CID 10635686
3-(3,4-difluorophenyl)-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-(1,3-thiazol-2-yl)propanamide
CID 25149246
N1-[3-(1H-Imidazol-4-yl)propyl]-N2-[3-(thiophen-2-yl)butanoyl] guanidine
CID 25149708
Ac-His-D-Phe-Arg-2Thi-NH2
CID 44369140
N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 71713908

Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide (CID 25149613) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1nccs1.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SGQYOPBUMICDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c20-19(23-8-4-7-15-12-21-13-24-15)25-17(26)11-16(18-22-9-10-27-18)14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,21,24)(H3,20,23,25,26).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 382.49 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 25149613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).