N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide

C12H18N2O2S — CID 126434968

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCCc1csc(CNC(=O)C[C@H]2CCOC2)n1
InChIInChI=1S/C12H18N2O2S/c1-2-10-8-17-12(14-10)6-13-11(15)5-9-3-4-16-7-9/h8-9H,2-7H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyUNKGAXQBHMVRPP-SECBINFHSA-N
MW254.35 g/mol
LogP1.75
Rot. Bonds5

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 126434968) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID126434968
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCCc1csc(CNC(=O)C[C@H]2CCOC2)n1
InChIInChI=1S/C12H18N2O2S/c1-2-10-8-17-12(14-10)6-13-11(15)5-9-3-4-16-7-9/h8-9H,2-7H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyUNKGAXQBHMVRPP-SECBINFHSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 24790907
4-[[[2-(2-Ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56798712
N-{(3R*,4S*)-4-isopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide
CID 72863366
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 75417636
2-methyl-N-[2-[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 53149511
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 60291072
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 93615782
2-[(3R)-oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 124294035
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 164635787
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
CID 164635958
2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 71985925
2-(oxan-4-yl)-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 97586184

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide (CID 126434968) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide is CCc1csc(CNC(=O)C[C@H]2CCOC2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is UNKGAXQBHMVRPP-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-10-8-17-12(14-10)6-13-11(15)5-9-3-4-16-7-9/h8-9H,2-7H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 126434968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).