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

C20H20N4O2S2 — CID 41158657

IUPAC2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H20N4O2S2/c1-13-7-9-14(10-8-13)21-19(26)24-20-22-15(12-28-20)11-18(25)23-16-5-3-4-6-17(16)27-2/h3-10,12H,11H2,1-2H3,(H,23,25)(H2,21,22,24,26)
InChIKeyWBKUSFCAVCIIOQ-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.00
Rot. Bonds6

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

2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 41158657) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID41158657
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H20N4O2S2/c1-13-7-9-14(10-8-13)21-19(26)24-20-22-15(12-28-20)11-18(25)23-16-5-3-4-6-17(16)27-2/h3-10,12H,11H2,1-2H3,(H,23,25)(H2,21,22,24,26)
InChIKeyWBKUSFCAVCIIOQ-UHFFFAOYSA-N
XLogP5.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
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-phenylethyl)acetamide
CID 18567492
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide
CID 41158629
N-(5-acetamido-2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158680
N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168636
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10916868
N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567570
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 41158657) is 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is WBKUSFCAVCIIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-13-7-9-14(10-8-13)21-19(26)24-20-22-15(12-28-20)11-18(25)23-16-5-3-4-6-17(16)27-2/h3-10,12H,11H2,1-2H3,(H,23,25)(H2,21,22,24,26).
What are the key properties of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 412.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 41158657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).