N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

C17H22N2OS2 — CID 78796286

IUPACN-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCCCCN(C)C(=O)c1ccc(CSc2nc(C)cs2)cc1
InChIInChI=1S/C17H22N2OS2/c1-4-5-10-19(3)16(20)15-8-6-14(7-9-15)12-22-17-18-13(2)11-21-17/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeySTBGGPRDLAKMDE-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.62
Rot. Bonds7

About N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 78796286) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID78796286
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC NameN-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCCCCN(C)C(=O)c1ccc(CSc2nc(C)cs2)cc1
InChIInChI=1S/C17H22N2OS2/c1-4-5-10-19(3)16(20)15-8-6-14(7-9-15)12-22-17-18-13(2)11-21-17/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeySTBGGPRDLAKMDE-UHFFFAOYSA-N
XLogP4.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 78796286) is N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is CCCCN(C)C(=O)c1ccc(CSc2nc(C)cs2)cc1.
What is the InChIKey of N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is STBGGPRDLAKMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-4-5-10-19(3)16(20)15-8-6-14(7-9-15)12-22-17-18-13(2)11-21-17/h6-9,11H,4-5,10,12H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 334.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 78796286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).