tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate

C13H21N3O3S — CID 10637894

IUPACtert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1
InChIInChI=1S/C13H21N3O3S/c1-7(2)9(16-12(18)19-13(3,4)5)11-15-8(6-20-11)10(14)17/h6-7,9H,1-5H3,(H2,14,17)(H,16,18)/t9-/m0/s1
InChIKeyQBNPNOQYDGGJKB-VIFPVBQESA-N
MW299.40 g/mol
LogP2.46
Rot. Bonds4

About tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate

tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate (PubChem CID 10637894) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
PubChem CID10637894
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nametert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1
InChIInChI=1S/C13H21N3O3S/c1-7(2)9(16-12(18)19-13(3,4)5)11-15-8(6-20-11)10(14)17/h6-7,9H,1-5H3,(H2,14,17)(H,16,18)/t9-/m0/s1
InChIKeyQBNPNOQYDGGJKB-VIFPVBQESA-N
XLogP2.46
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate (CID 10637894) is tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1.
What is the InChIKey of tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
The InChIKey is QBNPNOQYDGGJKB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-7(2)9(16-12(18)19-13(3,4)5)11-15-8(6-20-11)10(14)17/h6-7,9H,1-5H3,(H2,14,17)(H,16,18)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate has a molecular weight of 299.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(4-carbamoyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 10637894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).