2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine

C20H24N4O2S — CID 23067399

IUPAC2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine
SMILESCN(C)C.Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1
InChIInChI=1S/C17H15N3O2S.C3H9N/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12;1-4(2)3/h2-10H,18H2,1H3,(H,19,20,21);1-3H3
InChIKeySWMIPZIPKGRLGU-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.26
Rot. Bonds4

About 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine

2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine (PubChem CID 23067399) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine
PubChem CID23067399
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine
SMILESCN(C)C.Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1
InChIInChI=1S/C17H15N3O2S.C3H9N/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12;1-4(2)3/h2-10H,18H2,1H3,(H,19,20,21);1-3H3
InChIKeySWMIPZIPKGRLGU-UHFFFAOYSA-N
XLogP4.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 58929203
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61090250
N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine?
The IUPAC name of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine (CID 23067399) is 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine.
What is the SMILES notation for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine?
The canonical SMILES for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine is CN(C)C.Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2N)n1.
What is the InChIKey of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine?
The InChIKey is SWMIPZIPKGRLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S.C3H9N/c1-11-10-23-17(19-11)20-16(21)14-9-13(7-8-15(14)18)22-12-5-3-2-4-6-12;1-4(2)3/h2-10H,18H2,1H3,(H,19,20,21);1-3H3.
What are the key properties of 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine?
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine has a molecular weight of 384.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine is sourced from PubChem (CID 23067399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).