N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide

C17H19N5OS — CID 70742800

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESNc1nc(CCCNC(=O)c2cccc(Cn3cccn3)c2)cs1
InChIInChI=1S/C17H19N5OS/c18-17-21-15(12-24-17)6-2-7-19-16(23)14-5-1-4-13(10-14)11-22-9-3-8-20-22/h1,3-5,8-10,12H,2,6-7,11H2,(H2,18,21)(H,19,23)
InChIKeyKGEMKQUREMIUEP-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.33
Rot. Bonds7

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 70742800) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID70742800
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESNc1nc(CCCNC(=O)c2cccc(Cn3cccn3)c2)cs1
InChIInChI=1S/C17H19N5OS/c18-17-21-15(12-24-17)6-2-7-19-16(23)14-5-1-4-13(10-14)11-22-9-3-8-20-22/h1,3-5,8-10,12H,2,6-7,11H2,(H2,18,21)(H,19,23)
InChIKeyKGEMKQUREMIUEP-UHFFFAOYSA-N
XLogP2.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4-hydroxyphenyl)benzamide
CID 119071037
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70780672
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 97133199
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 70756654
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 70742800) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide is Nc1nc(CCCNC(=O)c2cccc(Cn3cccn3)c2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is KGEMKQUREMIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c18-17-21-15(12-24-17)6-2-7-19-16(23)14-5-1-4-13(10-14)11-22-9-3-8-20-22/h1,3-5,8-10,12H,2,6-7,11H2,(H2,18,21)(H,19,23).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 341.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 70742800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).