N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C21H22N4O3S — CID 16948483

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C21H22N4O3S/c1-14-6-5-8-16(12-14)23-20(27)25-21-24-17(13-29-21)19(26)22-11-10-15-7-3-4-9-18(15)28-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H2,23,24,25,27)
InChIKeyDLPMHKSXALGNKN-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.08
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948483) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948483
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C21H22N4O3S/c1-14-6-5-8-16(12-14)23-20(27)25-21-24-17(13-29-21)19(26)22-11-10-15-7-3-4-9-18(15)28-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H2,23,24,25,27)
InChIKeyDLPMHKSXALGNKN-UHFFFAOYSA-N
XLogP4.08
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509990
N-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948584
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948431
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948468

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948483) is N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is COc1ccccc1CCNC(=O)c1csc(NC(=O)Nc2cccc(C)c2)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is DLPMHKSXALGNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-6-5-8-16(12-14)23-20(27)25-21-24-17(13-29-21)19(26)22-11-10-15-7-3-4-9-18(15)28-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).