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

C16H21N3OS — CID 119681848

IUPAC2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2nc(NC(=O)CNC)sc2C)cc1
InChIInChI=1S/C16H21N3OS/c1-4-5-12-6-8-13(9-7-12)15-11(2)21-16(19-15)18-14(20)10-17-3/h6-9,17H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyXPEXTSGUGTYLTD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.23
Rot. Bonds6

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

2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 119681848) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID119681848
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2nc(NC(=O)CNC)sc2C)cc1
InChIInChI=1S/C16H21N3OS/c1-4-5-12-6-8-13(9-7-12)15-11(2)21-16(19-15)18-14(20)10-17-3/h6-9,17H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyXPEXTSGUGTYLTD-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17498432
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
CID 173175208
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 46668027
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119955925
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 119267192
2-chloro-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 34460359
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 60523426

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 119681848) is 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2nc(NC(=O)CNC)sc2C)cc1.
What is the InChIKey of 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XPEXTSGUGTYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-5-12-6-8-13(9-7-12)15-11(2)21-16(19-15)18-14(20)10-17-3/h6-9,17H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 119681848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).