N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

C17H17N5OS — CID 11530187

IUPACN-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C17H17N5OS/c1-18-16(23)12-5-4-6-13(9-12)20-10-14-11-21-17(24-14)22-15-7-2-3-8-19-15/h2-9,11,20H,10H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyLERGUDCLTSKXHR-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.25
Rot. Bonds6

About N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (PubChem CID 11530187) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
PubChem CID11530187
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C17H17N5OS/c1-18-16(23)12-5-4-6-13(9-12)20-10-14-11-21-17(24-14)22-15-7-2-3-8-19-15/h2-9,11,20H,10H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyLERGUDCLTSKXHR-UHFFFAOYSA-N
XLogP3.25
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (CID 11530187) is N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is CNC(=O)c1cccc(NCc2cnc(Nc3ccccn3)s2)c1.
What is the InChIKey of N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The InChIKey is LERGUDCLTSKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-18-16(23)12-5-4-6-13(9-12)20-10-14-11-21-17(24-14)22-15-7-2-3-8-19-15/h2-9,11,20H,10H2,1H3,(H,18,23)(H,19,21,22).
What are the key properties of N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 11530187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).