1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate

C10H15N3O3S — CID 68975143

IUPAC1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1cncs1)C(N)=O
InChIInChI=1S/C10H15N3O3S/c1-6(2)8(9(11)14)13-10(15)16-4-7-3-12-5-17-7/h3,5-6,8H,4H2,1-2H3,(H2,11,14)(H,13,15)/t8-/m0/s1
InChIKeyVGOAVPIQFCSOEO-QMMMGPOBSA-N
MW257.31 g/mol
LogP0.88
Rot. Bonds5

About 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 68975143) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID68975143
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1cncs1)C(N)=O
InChIInChI=1S/C10H15N3O3S/c1-6(2)8(9(11)14)13-10(15)16-4-7-3-12-5-17-7/h3,5-6,8H,4H2,1-2H3,(H2,11,14)(H,13,15)/t8-/m0/s1
InChIKeyVGOAVPIQFCSOEO-QMMMGPOBSA-N
XLogP0.88
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate (CID 68975143) is 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OCc1cncs1)C(N)=O.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is VGOAVPIQFCSOEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(2)8(9(11)14)13-10(15)16-4-7-3-12-5-17-7/h3,5-6,8H,4H2,1-2H3,(H2,11,14)(H,13,15)/t8-/m0/s1.
What are the key properties of 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate?
1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 257.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 68975143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).