2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide

C17H18N4OS — CID 139763050

IUPAC2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(NC2=NCCS2)cc1)NCc1ccccn1
InChIInChI=1S/C17H18N4OS/c22-16(20-12-15-3-1-2-8-18-15)11-13-4-6-14(7-5-13)21-17-19-9-10-23-17/h1-8H,9-12H2,(H,19,21)(H,20,22)
InChIKeyZWNRPOSYIXLVHV-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide

2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 139763050) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID139763050
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(NC2=NCCS2)cc1)NCc1ccccn1
InChIInChI=1S/C17H18N4OS/c22-16(20-12-15-3-1-2-8-18-15)11-13-4-6-14(7-5-13)21-17-19-9-10-23-17/h1-8H,9-12H2,(H,19,21)(H,20,22)
InChIKeyZWNRPOSYIXLVHV-UHFFFAOYSA-N
XLogP2.46
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)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

2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 20874986
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851878
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110771494
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide (CID 139763050) is 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(NC2=NCCS2)cc1)NCc1ccccn1.
What is the InChIKey of 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZWNRPOSYIXLVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-16(20-12-15-3-1-2-8-18-15)11-13-4-6-14(7-5-13)21-17-19-9-10-23-17/h1-8H,9-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 139763050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).