N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen

C14H22N2O3S — CID 145137078

IUPACN-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen
SMILESCC(C)c1nc(CN(C)C(=O)C[C@H]2CCOC2=O)cs1.[H][H]
InChIInChI=1S/C14H20N2O3S.H2/c1-9(2)13-15-11(8-20-13)7-16(3)12(17)6-10-4-5-19-14(10)18;/h8-10H,4-7H2,1-3H3;1H/t10-;/m1./s1
InChIKeyQKBFPOWNXMOVET-HNCPQSOCSA-N
MW298.41 g/mol
LogP2.42
Rot. Bonds5

About N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen

N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen (PubChem CID 145137078) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen
PubChem CID145137078
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen
SMILESCC(C)c1nc(CN(C)C(=O)C[C@H]2CCOC2=O)cs1.[H][H]
InChIInChI=1S/C14H20N2O3S.H2/c1-9(2)13-15-11(8-20-13)7-16(3)12(17)6-10-4-5-19-14(10)18;/h8-10H,4-7H2,1-3H3;1H/t10-;/m1./s1
InChIKeyQKBFPOWNXMOVET-HNCPQSOCSA-N
XLogP2.42
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen?
The IUPAC name of N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen (CID 145137078) is N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen?
The canonical SMILES for N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen is CC(C)c1nc(CN(C)C(=O)C[C@H]2CCOC2=O)cs1.[H][H].
What is the InChIKey of N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen?
The InChIKey is QKBFPOWNXMOVET-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H20N2O3S.H2/c1-9(2)13-15-11(8-20-13)7-16(3)12(17)6-10-4-5-19-14(10)18;/h8-10H,4-7H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen?
N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen has a molecular weight of 298.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen is sourced from PubChem (CID 145137078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).