tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate

C17H31N3O2S — CID 107445705

IUPACtert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate
SMILESCCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1nccs1
InChIInChI=1S/C17H31N3O2S/c1-8-13(14-19-10-12-23-14)18-9-11-20(16(2,3)4)15(21)22-17(5,6)7/h10,12-13,18H,8-9,11H2,1-7H3
InChIKeyCWWBXFMEEWPLGO-UHFFFAOYSA-N
MW341.52 g/mol
LogP4.22
Rot. Bonds6

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

tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate (PubChem CID 107445705) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate
PubChem CID107445705
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Nametert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate
SMILESCCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1nccs1
InChIInChI=1S/C17H31N3O2S/c1-8-13(14-19-10-12-23-14)18-9-11-20(16(2,3)4)15(21)22-17(5,6)7/h10,12-13,18H,8-9,11H2,1-7H3
InChIKeyCWWBXFMEEWPLGO-UHFFFAOYSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
CID 107444710
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
4-[2-[1-(1,3-thiazol-2-yl)propylamino]ethoxy]benzoic acid
CID 103253905
tert-butyl N-tert-butyl-N-[2-(1-methylsulfanylbutan-2-ylamino)ethyl]carbamate
CID 107446166
tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
CID 107445776
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
CID 104578211
2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120597101
tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
CID 107446234
tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
CID 107446039

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate (CID 107445705) is tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate is CCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate?
The InChIKey is CWWBXFMEEWPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-8-13(14-19-10-12-23-14)18-9-11-20(16(2,3)4)15(21)22-17(5,6)7/h10,12-13,18H,8-9,11H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate has a molecular weight of 341.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate is sourced from PubChem (CID 107445705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).