tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate

C15H24N4O3S — CID 24850403

IUPACtert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC1CCCN1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C15H24N4O3S/c1-10-6-5-8-19(10)11(17-14(21)22-15(2,3)4)12(20)18-13-16-7-9-23-13/h7,9-11H,5-6,8H2,1-4H3,(H,17,21)(H,16,18,20)/t10?,11-/m0/s1
InChIKeyHUETVWLJQLODGB-DTIOYNMSSA-N
MW340.45 g/mol
LogP2.42
Rot. Bonds4

About tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate

tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (PubChem CID 24850403) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
PubChem CID24850403
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC1CCCN1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C15H24N4O3S/c1-10-6-5-8-19(10)11(17-14(21)22-15(2,3)4)12(20)18-13-16-7-9-23-13/h7,9-11H,5-6,8H2,1-4H3,(H,17,21)(H,16,18,20)/t10?,11-/m0/s1
InChIKeyHUETVWLJQLODGB-DTIOYNMSSA-N
XLogP2.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (CID 24850403) is tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is CC1CCCN1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The InChIKey is HUETVWLJQLODGB-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-10-6-5-8-19(10)11(17-14(21)22-15(2,3)4)12(20)18-13-16-7-9-23-13/h7,9-11H,5-6,8H2,1-4H3,(H,17,21)(H,16,18,20)/t10?,11-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 24850403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).