tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate

C16H30N4O3S — CID 113230829

IUPACtert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNCc1sc(N(C)C)nc1OC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O3S/c1-8-20(15(21)23-16(2,3)4)10-9-17-11-12-13(22-7)18-14(24-12)19(5)6/h17H,8-11H2,1-7H3
InChIKeyJFTQVDGFOOTSGP-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.56
Rot. Bonds8

About tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate

tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate (PubChem CID 113230829) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate
PubChem CID113230829
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Nametert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNCc1sc(N(C)C)nc1OC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O3S/c1-8-20(15(21)23-16(2,3)4)10-9-17-11-12-13(22-7)18-14(24-12)19(5)6/h17H,8-11H2,1-7H3
InChIKeyJFTQVDGFOOTSGP-UHFFFAOYSA-N
XLogP2.56
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate (CID 113230829) is tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate is CCN(CCNCc1sc(N(C)C)nc1OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate?
The InChIKey is JFTQVDGFOOTSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3S/c1-8-20(15(21)23-16(2,3)4)10-9-17-11-12-13(22-7)18-14(24-12)19(5)6/h17H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate?
tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate has a molecular weight of 358.51 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 113230829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).