N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C20H20N4O4S — CID 18567661

IUPACN-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-27-15-9-7-13(8-10-15)21-18(25)11-14-12-29-20(22-14)24-19(26)23-16-5-3-4-6-17(16)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyXCKGUTPDUXXUKG-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.99
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567661) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567661
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-27-15-9-7-13(8-10-15)21-18(25)11-14-12-29-20(22-14)24-19(26)23-16-5-3-4-6-17(16)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyXCKGUTPDUXXUKG-UHFFFAOYSA-N
XLogP3.99
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574
Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
N-{2-[(2-ethoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1144665
N-(2-((2,5-Dimethoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)propionamide
CID 1144688
4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
CID 1468097
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2701314
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 11958501
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 44450281
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 741732
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567661) is N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is XCKGUTPDUXXUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-27-15-9-7-13(8-10-15)21-18(25)11-14-12-29-20(22-14)24-19(26)23-16-5-3-4-6-17(16)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).