N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide

C17H24N6OS — CID 18956283

IUPACN-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
SMILESCCCCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)n2)cs1
InChIInChI=1S/C17H24N6OS/c1-3-4-5-9-19-16(18)23-17-22-15(11-25-17)14-8-6-7-13(21-14)10-20-12(2)24/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,24)(H3,18,19,22,23)
InChIKeyRVNOWONTGLMDKJ-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.76
Rot. Bonds8

About N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 18956283) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
PubChem CID18956283
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC NameN-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
SMILESCCCCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)n2)cs1
InChIInChI=1S/C17H24N6OS/c1-3-4-5-9-19-16(18)23-17-22-15(11-25-17)14-8-6-7-13(21-14)10-20-12(2)24/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,24)(H3,18,19,22,23)
InChIKeyRVNOWONTGLMDKJ-UHFFFAOYSA-N
XLogP2.76
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.76
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'}

Analyze N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide 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-[[6-[2-[[N'-(3-methoxypropyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
CID 67870196
[6-[2-[(N'-heptylcarbamimidoyl)amino]-1,3-oxazol-4-yl]-2-pyridinyl]methylurea
CID 67889016
2-acetamidoethyl 2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazole-4-carboxylate
CID 139707661
N-[[5-[2-[[N'-[3-(furan-2-yl)propyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10762802
2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 139707658
N-[[3-[2-[[N'-(2-phenoxyethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10811489
N-[[5-[2-[[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 139700361
[6-[2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-5-methyl-2-pyridinyl]urea
CID 67869925
1-[4-[6-(aminomethyl)-2-pyridinyl]-1,3-oxazol-2-yl]-2-octylguanidine;trihydrochloride
CID 67886873
N-[[5-[2-[[N'-[2-(2-methoxyethoxy)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54534077
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 67849968
N-[[5-[2-[[N'-(naphthalen-1-ylmethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54367460

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide (CID 18956283) is N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide is CCCCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)n2)cs1.
What is the InChIKey of N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is RVNOWONTGLMDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-3-4-5-9-19-16(18)23-17-22-15(11-25-17)14-8-6-7-13(21-14)10-20-12(2)24/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,24)(H3,18,19,22,23).
What are the key properties of N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 360.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 18956283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).