2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide

C19H25N5O2S — CID 170416741

IUPAC2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESC/N=C(\C(=O)NC1CCN(C)C1)c1cc(OCc2scnc2C)ccc1N
InChIInChI=1S/C19H25N5O2S/c1-12-17(27-11-22-12)10-26-14-4-5-16(20)15(8-14)18(21-2)19(25)23-13-6-7-24(3)9-13/h4-5,8,11,13H,6-7,9-10,20H2,1-3H3,(H,23,25)/b21-18-
InChIKeyLBHLJOVGTNFZOK-UZYVYHOESA-N
MW387.51 g/mol
LogP1.85
Rot. Bonds6

About 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide

2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 170416741) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID170416741
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESC/N=C(\C(=O)NC1CCN(C)C1)c1cc(OCc2scnc2C)ccc1N
InChIInChI=1S/C19H25N5O2S/c1-12-17(27-11-22-12)10-26-14-4-5-16(20)15(8-14)18(21-2)19(25)23-13-6-7-24(3)9-13/h4-5,8,11,13H,6-7,9-10,20H2,1-3H3,(H,23,25)/b21-18-
InChIKeyLBHLJOVGTNFZOK-UZYVYHOESA-N
XLogP1.85
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
CID 170416750
2-(2-amino-5-phenylmethoxyphenyl)-N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2-methyliminoacetamide
CID 170602908
ethyl 2-amino-5-[(1-methylpyrrolidin-3-yl)amino]benzoate
CID 61465111
(2R)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418061
(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 166616622
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111920061
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
CID 61307094
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82105679
2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380158

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide (CID 170416741) is 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide is C/N=C(\C(=O)NC1CCN(C)C1)c1cc(OCc2scnc2C)ccc1N.
What is the InChIKey of 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is LBHLJOVGTNFZOK-UZYVYHOESA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-12-17(27-11-22-12)10-26-14-4-5-16(20)15(8-14)18(21-2)19(25)23-13-6-7-24(3)9-13/h4-5,8,11,13H,6-7,9-10,20H2,1-3H3,(H,23,25)/b21-18-.
What are the key properties of 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide?
2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 170416741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).