N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine

C17H22N2S — CID 81174433

IUPACN-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(-c2ccccc2)c(CNC2CC2)s1
InChIInChI=1S/C17H22N2S/c1-17(2,3)16-19-15(12-7-5-4-6-8-12)14(20-16)11-18-13-9-10-13/h4-8,13,18H,9-11H2,1-3H3
InChIKeyAHONRAINKVVNRF-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.36
Rot. Bonds4

About N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine

N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 81174433) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID81174433
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1nc(-c2ccccc2)c(CNC2CC2)s1
InChIInChI=1S/C17H22N2S/c1-17(2,3)16-19-15(12-7-5-4-6-8-12)14(20-16)11-18-13-9-10-13/h4-8,13,18H,9-11H2,1-3H3
InChIKeyAHONRAINKVVNRF-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 81178207
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174281
5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 62764504
N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
CID 115976693
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174282
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114994384
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438334
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea
CID 142737984

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 81174433) is N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine is CC(C)(C)c1nc(-c2ccccc2)c(CNC2CC2)s1.
What is the InChIKey of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is AHONRAINKVVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(2,3)16-19-15(12-7-5-4-6-8-12)14(20-16)11-18-13-9-10-13/h4-8,13,18H,9-11H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 286.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 81174433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).