N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide

C19H21N3OS2 — CID 17418739

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2csc(-c3cccs3)n2)c1C
InChIInChI=1S/C19H21N3OS2/c1-13-6-4-7-16(14(13)2)21-18(23)11-22(3)10-15-12-25-19(20-15)17-8-5-9-24-17/h4-9,12H,10-11H2,1-3H3,(H,21,23)
InChIKeyMFJJTURIXXPKJI-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.56
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 17418739) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID17418739
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2csc(-c3cccs3)n2)c1C
InChIInChI=1S/C19H21N3OS2/c1-13-6-4-7-16(14(13)2)21-18(23)11-22(3)10-15-12-25-19(20-15)17-8-5-9-24-17/h4-9,12H,10-11H2,1-3H3,(H,21,23)
InChIKeyMFJJTURIXXPKJI-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8593066
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622156
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 18269123
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196125
N-ethyl-2-[ethyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51223958
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-(2,3-dimethylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717968
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide
CID 8554161
N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CID 38511433
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 17418739) is N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)Cc2csc(-c3cccs3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is MFJJTURIXXPKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-13-6-4-7-16(14(13)2)21-18(23)11-22(3)10-15-12-25-19(20-15)17-8-5-9-24-17/h4-9,12H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 371.53 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 17418739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).