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

C12H14FN3O2S — CID 56968023

IUPAC(2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@@H](N)Cc2oc(F)cc2C)n1
InChIInChI=1S/C12H14FN3O2S/c1-6-3-10(13)18-9(6)4-8(14)11(17)16-12-15-7(2)5-19-12/h3,5,8H,4,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyCKTGZERDCSIAMA-QMMMGPOBSA-N
MW283.33 g/mol
LogP2.00
Rot. Bonds4

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

(2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 56968023) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID56968023
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name(2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@@H](N)Cc2oc(F)cc2C)n1
InChIInChI=1S/C12H14FN3O2S/c1-6-3-10(13)18-9(6)4-8(14)11(17)16-12-15-7(2)5-19-12/h3,5,8H,4,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyCKTGZERDCSIAMA-QMMMGPOBSA-N
XLogP2.00
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 56968023) is (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@@H](N)Cc2oc(F)cc2C)n1.
What is the InChIKey of (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CKTGZERDCSIAMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-6-3-10(13)18-9(6)4-8(14)11(17)16-12-15-7(2)5-19-12/h3,5,8H,4,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 283.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 56968023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).