tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate

C16H29N3O2S — CID 103904692

IUPACtert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNC(C)c1scnc1C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O2S/c1-7-9-19(15(20)21-16(4,5)6)10-8-17-12(2)14-13(3)18-11-22-14/h11-12,17H,7-10H2,1-6H3
InChIKeyOMOGTBWZJYMNBB-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.75
Rot. Bonds7

About tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate

tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate (PubChem CID 103904692) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
PubChem CID103904692
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Nametert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNC(C)c1scnc1C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O2S/c1-7-9-19(15(20)21-16(4,5)6)10-8-17-12(2)14-13(3)18-11-22-14/h11-12,17H,7-10H2,1-6H3
InChIKeyOMOGTBWZJYMNBB-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-N-propylcarbamate
CID 107246033
tert-butyl N-methyl-N-[2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 103783110
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103780681
tert-butyl N-[2-[1-(3-chlorophenyl)ethylamino]ethyl]-N-propylcarbamate
CID 107246027
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83202234
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115725802
2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
CID 115895184

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate (CID 103904692) is tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate is CCCN(CCNC(C)c1scnc1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate?
The InChIKey is OMOGTBWZJYMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-7-9-19(15(20)21-16(4,5)6)10-8-17-12(2)14-13(3)18-11-22-14/h11-12,17H,7-10H2,1-6H3.
What are the key properties of tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate has a molecular weight of 327.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate is sourced from PubChem (CID 103904692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).