tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate

C11H15ClN2O2S — CID 139270696

IUPACtert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C2CC2)c(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c1-11(2,3)16-10(15)14-9-13-7(6-4-5-6)8(12)17-9/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyBCDTWSSAJHFUBJ-UHFFFAOYSA-N
MW274.77 g/mol
LogP4.02
Rot. Bonds2

About tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate (PubChem CID 139270696) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate
PubChem CID139270696
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Nametert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C2CC2)c(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c1-11(2,3)16-10(15)14-9-13-7(6-4-5-6)8(12)17-9/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyBCDTWSSAJHFUBJ-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate (CID 139270696) is tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(C2CC2)c(Cl)s1.
What is the InChIKey of tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is BCDTWSSAJHFUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-11(2,3)16-10(15)14-9-13-7(6-4-5-6)8(12)17-9/h6H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 274.77 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 139270696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).