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

C18H24N2S — CID 82438551

IUPACN-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2nc(C(C)(C)C)c(CNC3CC3)s2)cc1
InChIInChI=1S/C18H24N2S/c1-12-5-7-13(8-6-12)17-20-16(18(2,3)4)15(21-17)11-19-14-9-10-14/h5-8,14,19H,9-11H2,1-4H3
InChIKeyHPOMNSUZHYZOJM-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.67
Rot. Bonds4

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

N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82438551) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82438551
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2nc(C(C)(C)C)c(CNC3CC3)s2)cc1
InChIInChI=1S/C18H24N2S/c1-12-5-7-13(8-6-12)17-20-16(18(2,3)4)15(21-17)11-19-14-9-10-14/h5-8,14,19H,9-11H2,1-4H3
InChIKeyHPOMNSUZHYZOJM-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82438551) is N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1ccc(-c2nc(C(C)(C)C)c(CNC3CC3)s2)cc1.
What is the InChIKey of N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is HPOMNSUZHYZOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-12-5-7-13(8-6-12)17-20-16(18(2,3)4)15(21-17)11-19-14-9-10-14/h5-8,14,19H,9-11H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 300.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82438551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).