tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate

C15H25N3O2S — CID 103905984

IUPACtert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
SMILESCC(NCC(NC(=O)OC(C)(C)C)C1CC1)c1cncs1
InChIInChI=1S/C15H25N3O2S/c1-10(13-8-16-9-21-13)17-7-12(11-5-6-11)18-14(19)20-15(2,3)4/h8-12,17H,5-7H2,1-4H3,(H,18,19)
InChIKeyGBBRKGUWDKWJDC-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.10
Rot. Bonds6

About tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate (PubChem CID 103905984) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
PubChem CID103905984
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
SMILESCC(NCC(NC(=O)OC(C)(C)C)C1CC1)c1cncs1
InChIInChI=1S/C15H25N3O2S/c1-10(13-8-16-9-21-13)17-7-12(11-5-6-11)18-14(19)20-15(2,3)4/h8-12,17H,5-7H2,1-4H3,(H,18,19)
InChIKeyGBBRKGUWDKWJDC-UHFFFAOYSA-N
XLogP3.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
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tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
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tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-[(3-ethylimidazol-4-yl)methylamino]ethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate (CID 103905984) is tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate is CC(NCC(NC(=O)OC(C)(C)C)C1CC1)c1cncs1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
The InChIKey is GBBRKGUWDKWJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10(13-8-16-9-21-13)17-7-12(11-5-6-11)18-14(19)20-15(2,3)4/h8-12,17H,5-7H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate has a molecular weight of 311.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 103905984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).