2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C15H21N3O2S2 — CID 166259554

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2cnc(COC(C)(C)C)s2)s1
InChIInChI=1S/C15H21N3O2S2/c1-9(2)10-6-17-14(22-10)18-13(19)11-7-16-12(21-11)8-20-15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyMGCNEUHXIQQQSH-UHFFFAOYSA-N
MW339.49 g/mol
LogP4.29
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 166259554) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID166259554
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2cnc(COC(C)(C)C)s2)s1
InChIInChI=1S/C15H21N3O2S2/c1-9(2)10-6-17-14(22-10)18-13(19)11-7-16-12(21-11)8-20-15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyMGCNEUHXIQQQSH-UHFFFAOYSA-N
XLogP4.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 166259554) is 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is CC(C)c1cnc(NC(=O)c2cnc(COC(C)(C)C)s2)s1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MGCNEUHXIQQQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-9(2)10-6-17-14(22-10)18-13(19)11-7-16-12(21-11)8-20-15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19).
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 339.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166259554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).