N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C21H23N3O2S — CID 86847591

IUPACN-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cs1
InChIInChI=1S/C21H23N3O2S/c1-15(2)24(21(25)19-14-27-20(23-19)13-26-3)18-11-9-17(10-12-18)22-16-7-5-4-6-8-16/h4-12,14-15,22H,13H2,1-3H3
InChIKeyCIIDRCDVPGVFPT-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.09
Rot. Bonds7

About N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 86847591) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID86847591
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cs1
InChIInChI=1S/C21H23N3O2S/c1-15(2)24(21(25)19-14-27-20(23-19)13-26-3)18-11-9-17(10-12-18)22-16-7-5-4-6-8-16/h4-12,14-15,22H,13H2,1-3H3
InChIKeyCIIDRCDVPGVFPT-UHFFFAOYSA-N
XLogP5.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide 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

(2S)-3-[benzyl-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 97324026
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 95156376
2-O-[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504871
[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519642
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 43015443
N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 138051232
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111758375
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
N-phenyl-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003146
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
2-[[benzoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195929

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 86847591) is N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cs1.
What is the InChIKey of N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CIIDRCDVPGVFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(2)24(21(25)19-14-27-20(23-19)13-26-3)18-11-9-17(10-12-18)22-16-7-5-4-6-8-16/h4-12,14-15,22H,13H2,1-3H3.
What are the key properties of N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86847591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).