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

C20H20N4O2S — CID 18567499

IUPACN-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-3-7-15(8-4-13)21-18(25)11-17-12-27-20(23-17)24-19(26)22-16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyLIGIHDMYRYTDQJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.59
Rot. Bonds5

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

N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567499) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567499
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-3-7-15(8-4-13)21-18(25)11-17-12-27-20(23-17)24-19(26)22-16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyLIGIHDMYRYTDQJ-UHFFFAOYSA-N
XLogP4.59
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567512
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 41158657
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
N-(5-acetamido-2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158680
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 18567591
ethyl 4-[[2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 41211886

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567499) is N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is LIGIHDMYRYTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-3-7-15(8-4-13)21-18(25)11-17-12-27-20(23-17)24-19(26)22-16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).