3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide

C17H21N5OS — CID 91832585

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
SMILESCn1c(CCCNC(=O)CCc2csc(N)n2)nc2ccccc21
InChIInChI=1S/C17H21N5OS/c1-22-14-6-3-2-5-13(14)21-15(22)7-4-10-19-16(23)9-8-12-11-24-17(18)20-12/h2-3,5-6,11H,4,7-10H2,1H3,(H2,18,20)(H,19,23)
InChIKeyRIIMRGYSBQQTBY-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.29
Rot. Bonds7

About 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide (PubChem CID 91832585) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
PubChem CID91832585
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
SMILESCn1c(CCCNC(=O)CCc2csc(N)n2)nc2ccccc21
InChIInChI=1S/C17H21N5OS/c1-22-14-6-3-2-5-13(14)21-15(22)7-4-10-19-16(23)9-8-12-11-24-17(18)20-12/h2-3,5-6,11H,4,7-10H2,1H3,(H2,18,20)(H,19,23)
InChIKeyRIIMRGYSBQQTBY-UHFFFAOYSA-N
XLogP2.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
4-[3-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-oxopropyl]benzoic acid
CID 119185805
1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 116575680
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91821860
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72847648
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642
N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97489803
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide (CID 91832585) is 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide is Cn1c(CCCNC(=O)CCc2csc(N)n2)nc2ccccc21.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
The InChIKey is RIIMRGYSBQQTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-22-14-6-3-2-5-13(14)21-15(22)7-4-10-19-16(23)9-8-12-11-24-17(18)20-12/h2-3,5-6,11H,4,7-10H2,1H3,(H2,18,20)(H,19,23).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide has a molecular weight of 343.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 91832585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).