4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine

C13H21N3OS — CID 175933370

IUPAC4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)N1CCOC(/C=C/c2csc(N)n2)C1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)16-6-7-17-11(8-16)5-4-10-9-18-12(14)15-10/h4-5,9,11H,6-8H2,1-3H3,(H2,14,15)/b5-4+
InChIKeySZKQEETYAVMIQK-SNAWJCMRSA-N
MW267.40 g/mol
LogP2.24
Rot. Bonds2

About 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 175933370) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID175933370
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)N1CCOC(/C=C/c2csc(N)n2)C1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)16-6-7-17-11(8-16)5-4-10-9-18-12(14)15-10/h4-5,9,11H,6-8H2,1-3H3,(H2,14,15)/b5-4+
InChIKeySZKQEETYAVMIQK-SNAWJCMRSA-N
XLogP2.24
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1,3-thiazol-2-amine
CID 169049379
4-[(E)-2-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethenyl]-1,3-thiazol-2-amine
CID 116791216
4-[(E)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 169049373
4-[(E)-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-amine
CID 169049114
4-[2-(5-ethylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 77040121
4-[2-(5-methylthiophen-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 77039903
carbonic acid;4-[(Z)-prop-1-enyl]-1,3-thiazol-2-amine
CID 88600251
carbonic acid;4-prop-1-enyl-1,3-thiazol-2-amine
CID 88644555
4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine
CID 163209405
4-[2-(2,6-difluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77040047
4-tert-butyl-2-fluoromorpholine
CID 168840336
tert-butyl 2-[(E)-2-[2-[[1-(pyridin-4-ylmethyl)pyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]ethenyl]morpholine-4-carboxylate
CID 162743678

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine (CID 175933370) is 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine is CC(C)(C)N1CCOC(/C=C/c2csc(N)n2)C1.
What is the InChIKey of 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is SZKQEETYAVMIQK-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)16-6-7-17-11(8-16)5-4-10-9-18-12(14)15-10/h4-5,9,11H,6-8H2,1-3H3,(H2,14,15)/b5-4+.
What are the key properties of 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 267.40 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-tert-butylmorpholin-2-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175933370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).