2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide

C17H15N3OS — CID 39071360

IUPAC2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(N)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c1-20(13-10-6-3-7-11-13)16(21)15-14(19-17(18)22-15)12-8-4-2-5-9-12/h2-11H,1H3,(H2,18,19)
InChIKeyKPOIEARGOYKKHW-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.67
Rot. Bonds3

About 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide

2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 39071360) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID39071360
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(N)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c1-20(13-10-6-3-7-11-13)16(21)15-14(19-17(18)22-15)12-8-4-2-5-9-12/h2-11H,1H3,(H2,18,19)
InChIKeyKPOIEARGOYKKHW-UHFFFAOYSA-N
XLogP3.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide (CID 39071360) is 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide is CN(C(=O)c1sc(N)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KPOIEARGOYKKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-20(13-10-6-3-7-11-13)16(21)15-14(19-17(18)22-15)12-8-4-2-5-9-12/h2-11H,1H3,(H2,18,19).
What are the key properties of 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide?
2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39071360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).