N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide

C16H20N4O2S — CID 71982861

IUPACN-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)N(C)Cc2nccs2)c1
InChIInChI=1S/C16H20N4O2S/c1-12(21)19(2)10-13-5-4-6-14(9-13)18-16(22)20(3)11-15-17-7-8-23-15/h4-9H,10-11H2,1-3H3,(H,18,22)
InChIKeyJLHFJVBGLSRPOF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.79
Rot. Bonds5

About N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide

N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide (PubChem CID 71982861) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide
PubChem CID71982861
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)N(C)Cc2nccs2)c1
InChIInChI=1S/C16H20N4O2S/c1-12(21)19(2)10-13-5-4-6-14(9-13)18-16(22)20(3)11-15-17-7-8-23-15/h4-9H,10-11H2,1-3H3,(H,18,22)
InChIKeyJLHFJVBGLSRPOF-UHFFFAOYSA-N
XLogP2.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide (CID 71982861) is N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide is CC(=O)N(C)Cc1cccc(NC(=O)N(C)Cc2nccs2)c1.
What is the InChIKey of N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide?
The InChIKey is JLHFJVBGLSRPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12(21)19(2)10-13-5-4-6-14(9-13)18-16(22)20(3)11-15-17-7-8-23-15/h4-9H,10-11H2,1-3H3,(H,18,22).
What are the key properties of N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide?
N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 71982861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).