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

C11H18N2O2S — CID 22710965

IUPACtert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate
SMILESCC(Cc1cscn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O2S/c1-8(5-9-6-16-7-12-9)13-10(14)15-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyOIOCLTSUDNOSQW-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.60
Rot. Bonds3

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

tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate (PubChem CID 22710965) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate
PubChem CID22710965
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate
SMILESCC(Cc1cscn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O2S/c1-8(5-9-6-16-7-12-9)13-10(14)15-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyOIOCLTSUDNOSQW-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate (CID 22710965) is tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate is CC(Cc1cscn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
The InChIKey is OIOCLTSUDNOSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(5-9-6-16-7-12-9)13-10(14)15-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate has a molecular weight of 242.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,3-thiazol-4-yl)propan-2-yl]carbamate is sourced from PubChem (CID 22710965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).