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

C21H22N4O3S — CID 18567570

IUPACN-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C21H22N4O3S/c1-13-5-4-6-15(9-13)22-20(27)25-21-23-16(12-29-21)11-19(26)24-17-8-7-14(2)10-18(17)28-3/h4-10,12H,11H2,1-3H3,(H,24,26)(H2,22,23,25,27)
InChIKeyQUTHLNMEWTVKBM-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.59
Rot. Bonds6

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

N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567570) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567570
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C21H22N4O3S/c1-13-5-4-6-15(9-13)22-20(27)25-21-23-16(12-29-21)11-19(26)24-17-8-7-14(2)10-18(17)28-3/h4-10,12H,11H2,1-3H3,(H,24,26)(H2,22,23,25,27)
InChIKeyQUTHLNMEWTVKBM-UHFFFAOYSA-N
XLogP4.59
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-3-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567571
N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
N-(5-acetamido-2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158680
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 26841697
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
3,5-dimethoxy-N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568093
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627
N-(3-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567657
2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211433
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567570) is N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is QUTHLNMEWTVKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-13-5-4-6-15(9-13)22-20(27)25-21-23-16(12-29-21)11-19(26)24-17-8-7-14(2)10-18(17)28-3/h4-10,12H,11H2,1-3H3,(H,24,26)(H2,22,23,25,27).
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).