N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

C13H16N2O3S — CID 109388495

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)C(C)CO)cs2)o1
InChIInChI=1S/C13H16N2O3S/c1-8(6-16)15(3)13(17)10-7-19-12(14-10)11-5-4-9(2)18-11/h4-5,7-8,16H,6H2,1-3H3
InChIKeyYZFDKIFIBWBDLX-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.16
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 109388495) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID109388495
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)C(C)CO)cs2)o1
InChIInChI=1S/C13H16N2O3S/c1-8(6-16)15(3)13(17)10-7-19-12(14-10)11-5-4-9(2)18-11/h4-5,7-8,16H,6H2,1-3H3
InChIKeyYZFDKIFIBWBDLX-UHFFFAOYSA-N
XLogP2.16
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 109388495) is N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N(C)C(C)CO)cs2)o1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YZFDKIFIBWBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8(6-16)15(3)13(17)10-7-19-12(14-10)11-5-4-9(2)18-11/h4-5,7-8,16H,6H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 109388495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).