2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine

C17H22N2S — CID 79359346

IUPAC2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)C(NCc2nc(-c3ccccc3)cs2)C1(C)C
InChIInChI=1S/C17H22N2S/c1-16(2)15(17(16,3)4)18-10-14-19-13(11-20-14)12-8-6-5-7-9-12/h5-9,11,15,18H,10H2,1-4H3
InChIKeyGEEBQTPOEIHEKN-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.33
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine (PubChem CID 79359346) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
PubChem CID79359346
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)C(NCc2nc(-c3ccccc3)cs2)C1(C)C
InChIInChI=1S/C17H22N2S/c1-16(2)15(17(16,3)4)18-10-14-19-13(11-20-14)12-8-6-5-7-9-12/h5-9,11,15,18H,10H2,1-4H3
InChIKeyGEEBQTPOEIHEKN-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 79832136
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587891
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 113224729
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 62901090
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine (CID 79359346) is 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine is CC1(C)C(NCc2nc(-c3ccccc3)cs2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is GEEBQTPOEIHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-16(2)15(17(16,3)4)18-10-14-19-13(11-20-14)12-8-6-5-7-9-12/h5-9,11,15,18H,10H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79359346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).