tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C14H21N5O4S — CID 146022911

IUPACtert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CC(=O)NC2CN(C(N)=O)C2)cs1
InChIInChI=1S/C14H21N5O4S/c1-14(2,3)23-13(22)18-12-17-8(7-24-12)4-10(20)16-9-5-19(6-9)11(15)21/h7,9H,4-6H2,1-3H3,(H2,15,21)(H,16,20)(H,17,18,22)
InChIKeyHFAAJFJIRKBHNO-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.91
Rot. Bonds4

About tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 146022911) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID146022911
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Nametert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CC(=O)NC2CN(C(N)=O)C2)cs1
InChIInChI=1S/C14H21N5O4S/c1-14(2,3)23-13(22)18-12-17-8(7-24-12)4-10(20)16-9-5-19(6-9)11(15)21/h7,9H,4-6H2,1-3H3,(H2,15,21)(H,16,20)(H,17,18,22)
InChIKeyHFAAJFJIRKBHNO-UHFFFAOYSA-N
XLogP0.91
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 146022911) is tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(CC(=O)NC2CN(C(N)=O)C2)cs1.
What is the InChIKey of tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is HFAAJFJIRKBHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-14(2,3)23-13(22)18-12-17-8(7-24-12)4-10(20)16-9-5-19(6-9)11(15)21/h7,9H,4-6H2,1-3H3,(H2,15,21)(H,16,20)(H,17,18,22).
What are the key properties of tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 355.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 146022911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).