(4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide

C10H17N3O2S — CID 134301617

IUPAC(4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@]1(C)CSC=N1)C(N)=O
InChIInChI=1S/C10H17N3O2S/c1-6(2)7(8(11)14)13-9(15)10(3)4-16-5-12-10/h5-7H,4H2,1-3H3,(H2,11,14)(H,13,15)/t7-,10-/m0/s1
InChIKeyFRMJGEBQZVKMHB-XVKPBYJWSA-N
MW243.33 g/mol
LogP0.15
Rot. Bonds4

About (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide

(4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide (PubChem CID 134301617) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide
PubChem CID134301617
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@]1(C)CSC=N1)C(N)=O
InChIInChI=1S/C10H17N3O2S/c1-6(2)7(8(11)14)13-9(15)10(3)4-16-5-12-10/h5-7H,4H2,1-3H3,(H2,11,14)(H,13,15)/t7-,10-/m0/s1
InChIKeyFRMJGEBQZVKMHB-XVKPBYJWSA-N
XLogP0.15
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide (CID 134301617) is (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide is CC(C)[C@H](NC(=O)[C@]1(C)CSC=N1)C(N)=O.
What is the InChIKey of (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide?
The InChIKey is FRMJGEBQZVKMHB-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)7(8(11)14)13-9(15)10(3)4-16-5-12-10/h5-7H,4H2,1-3H3,(H2,11,14)(H,13,15)/t7-,10-/m0/s1.
What are the key properties of (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide?
(4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134301617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).