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

C14H17N3OS — CID 82161324

IUPACN-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-9-13(19-14(15-9)16-10(2)18)11-5-7-12(8-6-11)17(3)4/h5-8H,1-4H3,(H,15,16,18)
InChIKeyRFHYEPUQYIAOHE-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.14
Rot. Bonds3

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

N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 82161324) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID82161324
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-9-13(19-14(15-9)16-10(2)18)11-5-7-12(8-6-11)17(3)4/h5-8H,1-4H3,(H,15,16,18)
InChIKeyRFHYEPUQYIAOHE-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 82161324) is N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(N(C)C)cc2)s1.
What is the InChIKey of N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is RFHYEPUQYIAOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-13(19-14(15-9)16-10(2)18)11-5-7-12(8-6-11)17(3)4/h5-8H,1-4H3,(H,15,16,18).
What are the key properties of N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 82161324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).