(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide

C12H17FN2O2S — CID 143895910

IUPAC(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide
SMILESC[C@@H](CC1CCOCC1)C(=O)Nc1ncc(F)s1
InChIInChI=1S/C12H17FN2O2S/c1-8(6-9-2-4-17-5-3-9)11(16)15-12-14-7-10(13)18-12/h7-9H,2-6H2,1H3,(H,14,15,16)/t8-/m0/s1
InChIKeyHZYGPQGVRNFDFW-QMMMGPOBSA-N
MW272.34 g/mol
LogP2.67
Rot. Bonds4

About (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide

(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide (PubChem CID 143895910) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide
PubChem CID143895910
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide
SMILESC[C@@H](CC1CCOCC1)C(=O)Nc1ncc(F)s1
InChIInChI=1S/C12H17FN2O2S/c1-8(6-9-2-4-17-5-3-9)11(16)15-12-14-7-10(13)18-12/h7-9H,2-6H2,1H3,(H,14,15,16)/t8-/m0/s1
InChIKeyHZYGPQGVRNFDFW-QMMMGPOBSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24957757
2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 76587215
(2S)-2-(4-cyclopropylsulfonylpyrazolo[3,4-c]pyridin-1-yl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 56968094
1-[1-[(5-fluoro-1,3-thiazol-2-yl)amino]-3-(oxan-4-yl)-1-oxopropan-2-yl]indazole-4-sulfinic acid
CID 87420182
(2R)-2-[4-(3-fluorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 87418132
(2R)-2-[4-(3-chlorophenyl)sulfonyl-6-methyl-2-oxo-1H-pyridin-3-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 87418356
N-(5-fluoro-1,3-thiazol-2-yl)oxetane-3-carboxamide
CID 175957268
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
CID 143125890
3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)propanamide
CID 87418060
2-(3,4-dichlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-2-yl)propanamide
CID 91046962
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide
CID 88991173

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide (CID 143895910) is (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide is C[C@@H](CC1CCOCC1)C(=O)Nc1ncc(F)s1.
What is the InChIKey of (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide?
The InChIKey is HZYGPQGVRNFDFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-8(6-9-2-4-17-5-3-9)11(16)15-12-14-7-10(13)18-12/h7-9H,2-6H2,1H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide?
(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide has a molecular weight of 272.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 143895910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).