4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide

C21H23N3OS — CID 53365432

IUPAC4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(NCCc3ccccc3)nc2C)c1
InChIInChI=1S/C21H23N3OS/c1-15-7-6-10-18(13-15)14-23-20(25)19-16(2)24-21(26-19)22-12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHXSLNDNXEQBPCZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.34
Rot. Bonds7

About 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide

4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 53365432) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
PubChem CID53365432
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(NCCc3ccccc3)nc2C)c1
InChIInChI=1S/C21H23N3OS/c1-15-7-6-10-18(13-15)14-23-20(25)19-16(2)24-21(26-19)22-12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHXSLNDNXEQBPCZ-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365403
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 9453799
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 95394528
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16839644
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897177
2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 89233057
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide (CID 53365432) is 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide is Cc1cccc(CNC(=O)c2sc(NCCc3ccccc3)nc2C)c1.
What is the InChIKey of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is HXSLNDNXEQBPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-7-6-10-18(13-15)14-23-20(25)19-16(2)24-21(26-19)22-12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide?
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).