3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide

C24H22N4O2S — CID 58962956

IUPAC3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nsc(C)c2C(=O)N/C(N)=N/Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H22N4O2S/c1-15-21(22(28-31-15)17-10-12-19(30-2)13-11-17)23(29)27-24(25)26-14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14H2,1-2H3,(H3,25,26,27,29)
InChIKeyMJZGXDBYLRQKRG-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.53
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide

3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide (PubChem CID 58962956) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide
PubChem CID58962956
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nsc(C)c2C(=O)N/C(N)=N/Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H22N4O2S/c1-15-21(22(28-31-15)17-10-12-19(30-2)13-11-17)23(29)27-24(25)26-14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14H2,1-2H3,(H3,25,26,27,29)
InChIKeyMJZGXDBYLRQKRG-UHFFFAOYSA-N
XLogP4.53
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-oxazole-4-carboxamide
CID 15941441
[N'-[(4-amino-3-chloro-5-methylphenyl)methyl]-N-[3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carbonyl]carbamimidoyl]carbamic acid
CID 69406681
tert-butyl N-[N'-[[3-(aminomethyl)-5-chlorophenyl]methyl]-N-[3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carbonyl]carbamimidoyl]carbamate
CID 58962973
3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid
CID 159115802
N-[N'-[(4-amino-3-chlorophenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 58962983
2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide
CID 11024994
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
1-(1-methoxypropan-2-yl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046375
4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
3-[[3-[[[amino-[[3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methylidene]amino]methyl]-5-chlorophenyl]methoxy]-3-oxopropanoic acid
CID 91208227

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide (CID 58962956) is 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide is COc1ccc(-c2nsc(C)c2C(=O)N/C(N)=N/Cc2cccc3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide?
The InChIKey is MJZGXDBYLRQKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-21(22(28-31-15)17-10-12-19(30-2)13-11-17)23(29)27-24(25)26-14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14H2,1-2H3,(H3,25,26,27,29).
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide?
3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 58962956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).