2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C16H20N4O2S — CID 75392898

IUPAC2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)NCC(=O)Nc1nc(C)c(Cc2ccccc2C)s1
InChIInChI=1S/C16H20N4O2S/c1-10-6-4-5-7-12(10)8-13-11(2)19-16(23-13)20-14(21)9-18-15(22)17-3/h4-7H,8-9H2,1-3H3,(H2,17,18,22)(H,19,20,21)
InChIKeyFXIRGGMITPJLIP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.22
Rot. Bonds5

About 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75392898) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75392898
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNC(=O)NCC(=O)Nc1nc(C)c(Cc2ccccc2C)s1
InChIInChI=1S/C16H20N4O2S/c1-10-6-4-5-7-12(10)8-13-11(2)19-16(23-13)20-14(21)9-18-15(22)17-3/h4-7H,8-9H2,1-3H3,(H2,17,18,22)(H,19,20,21)
InChIKeyFXIRGGMITPJLIP-UHFFFAOYSA-N
XLogP2.22
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 55958712
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 112846123
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120589562
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55895563
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 52699541
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
CID 86874999
4-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122094987
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 60531739
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 75392898) is 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is CNC(=O)NCC(=O)Nc1nc(C)c(Cc2ccccc2C)s1.
What is the InChIKey of 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FXIRGGMITPJLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-6-4-5-7-12(10)8-13-11(2)19-16(23-13)20-14(21)9-18-15(22)17-3/h4-7H,8-9H2,1-3H3,(H2,17,18,22)(H,19,20,21).
What are the key properties of 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-N-[4-methyl-5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75392898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).