2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C20H22N4O2S — CID 58929203

IUPAC2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccccc3CN(C)C)ccc2N)n1
InChIInChI=1S/C20H22N4O2S/c1-13-12-27-20(22-13)23-19(25)16-10-15(8-9-17(16)21)26-18-7-5-4-6-14(18)11-24(2)3/h4-10,12H,11,21H2,1-3H3,(H,22,23,25)
InChIKeyZTWOUOKMBNZHAO-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.14
Rot. Bonds6

About 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 58929203) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID58929203
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Oc3ccccc3CN(C)C)ccc2N)n1
InChIInChI=1S/C20H22N4O2S/c1-13-12-27-20(22-13)23-19(25)16-10-15(8-9-17(16)21)26-18-7-5-4-6-14(18)11-24(2)3/h4-10,12H,11,21H2,1-3H3,(H,22,23,25)
InChIKeyZTWOUOKMBNZHAO-UHFFFAOYSA-N
XLogP4.14
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.14
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-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine
CID 23067399
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26362259
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
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
2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 23067463
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 58929203) is 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Oc3ccccc3CN(C)C)ccc2N)n1.
What is the InChIKey of 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZTWOUOKMBNZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-12-27-20(22-13)23-19(25)16-10-15(8-9-17(16)21)26-18-7-5-4-6-14(18)11-24(2)3/h4-10,12H,11,21H2,1-3H3,(H,22,23,25).
What are the key properties of 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[(dimethylamino)methyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 58929203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).