(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide

C13H20N2O2S — CID 164635958

IUPAC(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
SMILESCc1csc(CNC(=O)[C@@H](C)C2CCOCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-9-8-18-12(15-9)7-14-13(16)10(2)11-3-5-17-6-4-11/h8,10-11H,3-7H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyDDIPHRGMXSZAEO-JTQLQIEISA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds4

About (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide

(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide (PubChem CID 164635958) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
PubChem CID164635958
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
SMILESCc1csc(CNC(=O)[C@@H](C)C2CCOCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-9-8-18-12(15-9)7-14-13(16)10(2)11-3-5-17-6-4-11/h8,10-11H,3-7H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyDDIPHRGMXSZAEO-JTQLQIEISA-N
XLogP2.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.13
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
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]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72890644
N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexanecarboxamide
CID 40117206
N-{rel-(3R,4S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propyl-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72926564
2-[(3R)-oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 124294035
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 126434968
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 164635787
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
2-(oxan-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 97586185
(2S)-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 99697371

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide (CID 164635958) is (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide is Cc1csc(CNC(=O)[C@@H](C)C2CCOCC2)n1.
What is the InChIKey of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is DDIPHRGMXSZAEO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-8-18-12(15-9)7-14-13(16)10(2)11-3-5-17-6-4-11/h8,10-11H,3-7H2,1-2H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 268.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 164635958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).