tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate

C14H21N3O3S — CID 169193316

IUPACtert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCc2scnc21)C(N)=O
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-9(12(15)18)6-8-4-5-10-11(8)16-7-21-10/h7-9H,4-6H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyZXGMDVHYFMUDDU-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.94
Rot. Bonds4

About tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 169193316) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate
PubChem CID169193316
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nametert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCc2scnc21)C(N)=O
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-9(12(15)18)6-8-4-5-10-11(8)16-7-21-10/h7-9H,4-6H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyZXGMDVHYFMUDDU-UHFFFAOYSA-N
XLogP1.94
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate (CID 169193316) is tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CC1CCc2scnc21)C(N)=O.
What is the InChIKey of tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is ZXGMDVHYFMUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-9(12(15)18)6-8-4-5-10-11(8)16-7-21-10/h7-9H,4-6H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 311.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 169193316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).