N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide

C18H15N5OS — CID 145326607

IUPACN-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide
SMILESCc1sc(N(Cc2ccccn2)c2ccc(C#N)cc2)nc1NC=O
InChIInChI=1S/C18H15N5OS/c1-13-17(21-12-24)22-18(25-13)23(11-15-4-2-3-9-20-15)16-7-5-14(10-19)6-8-16/h2-9,12H,11H2,1H3,(H,21,24)
InChIKeyCAETVGADBHECQR-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.62
Rot. Bonds6

About N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide

N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide (PubChem CID 145326607) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide
PubChem CID145326607
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide
SMILESCc1sc(N(Cc2ccccn2)c2ccc(C#N)cc2)nc1NC=O
InChIInChI=1S/C18H15N5OS/c1-13-17(21-12-24)22-18(25-13)23(11-15-4-2-3-9-20-15)16-7-5-14(10-19)6-8-16/h2-9,12H,11H2,1H3,(H,21,24)
InChIKeyCAETVGADBHECQR-UHFFFAOYSA-N
XLogP3.62
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide 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-[2-(N-benzyl-4-cyanoanilino)-5-methyl-1,3-thiazol-4-yl]formamide;cyclopropanethiol
CID 145326600
N-[2-[4-cyano-N-[[4-(dimethylamino)cyclohexyl]methyl]anilino]-5-methyl-1,3-thiazol-4-yl]formamide;methanethiol
CID 145326577
4-[1,3-benzothiazol-2-ylmethyl-(4-formyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 155028039
4-[[2-(difluoromethyl)phenyl]methyl-(4-formyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 155027715
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-ethylamino]benzonitrile
CID 155027719
2-[4-cyano-N-[(3-hydroxy-2-pyridinyl)methyl]anilino]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 129235782
4-[benzyl-(4-formyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile;N-pyridin-3-ylsulfanylmethanamine
CID 145326731
4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl-(4-formyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 155028059
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-[[2-(trifluoromethyl)-4-pyridinyl]methyl]amino]benzonitrile
CID 155028041
2-[4-cyano-N-[(4-cyanophenyl)methyl]anilino]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 129235876
ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 143251058
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
CID 155027703

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide?
The IUPAC name of N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide (CID 145326607) is N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide.
What is the SMILES notation for N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide?
The canonical SMILES for N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide is Cc1sc(N(Cc2ccccn2)c2ccc(C#N)cc2)nc1NC=O.
What is the InChIKey of N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide?
The InChIKey is CAETVGADBHECQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-13-17(21-12-24)22-18(25-13)23(11-15-4-2-3-9-20-15)16-7-5-14(10-19)6-8-16/h2-9,12H,11H2,1H3,(H,21,24).
What are the key properties of N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide?
N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide has a molecular weight of 349.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyano-N-(pyridin-2-ylmethyl)anilino]-5-methyl-1,3-thiazol-4-yl]formamide is sourced from PubChem (CID 145326607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).