3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide

C19H26N2O3S2 — CID 59735852

IUPAC3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide
SMILESCSCc1csc(NC(=O)c2cc(OCC(C)C)cc(OC(C)C)c2)n1
InChIInChI=1S/C19H26N2O3S2/c1-12(2)9-23-16-6-14(7-17(8-16)24-13(3)4)18(22)21-19-20-15(10-25-5)11-26-19/h6-8,11-13H,9-10H2,1-5H3,(H,20,21,22)
InChIKeyMCZJHCYBRIVVDL-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.08
Rot. Bonds9

About 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide

3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide (PubChem CID 59735852) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide
PubChem CID59735852
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC Name3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide
SMILESCSCc1csc(NC(=O)c2cc(OCC(C)C)cc(OC(C)C)c2)n1
InChIInChI=1S/C19H26N2O3S2/c1-12(2)9-23-16-6-14(7-17(8-16)24-13(3)4)18(22)21-19-20-15(10-25-5)11-26-19/h6-8,11-13H,9-10H2,1-5H3,(H,20,21,22)
InChIKeyMCZJHCYBRIVVDL-UHFFFAOYSA-N
XLogP5.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-(thiophen-3-ylmethoxymethyl)benzamide
CID 59735829
3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 59346912
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-[(3R)-pyrrolidin-3-yl]oxybenzamide
CID 58265915
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
N-acetylsulfinyl-6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
CID 142213553
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059
N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide
CID 59736028
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 16850206
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-[2-(4-fluorophenyl)ethoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 58265819
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)benzamide
CID 10028607

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide (CID 59735852) is 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide is CSCc1csc(NC(=O)c2cc(OCC(C)C)cc(OC(C)C)c2)n1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide?
The InChIKey is MCZJHCYBRIVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-12(2)9-23-16-6-14(7-17(8-16)24-13(3)4)18(22)21-19-20-15(10-25-5)11-26-19/h6-8,11-13H,9-10H2,1-5H3,(H,20,21,22).
What are the key properties of 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide?
3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide has a molecular weight of 394.56 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide is sourced from PubChem (CID 59735852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).