1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine

C17H22N2S — CID 53272743

IUPAC1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCC(C)c1ccc(-c2cnc(CNCC3CC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-12(2)14-5-7-15(8-6-14)16-10-19-17(20-16)11-18-9-13-3-4-13/h5-8,10,12-13,18H,3-4,9,11H2,1-2H3
InChIKeyUBJRDFXMLMPVAX-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.43
Rot. Bonds6

About 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine

1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53272743) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53272743
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCC(C)c1ccc(-c2cnc(CNCC3CC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-12(2)14-5-7-15(8-6-14)16-10-19-17(20-16)11-18-9-13-3-4-13/h5-8,10,12-13,18H,3-4,9,11H2,1-2H3
InChIKeyUBJRDFXMLMPVAX-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine with MolForge

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Related Compounds

(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine
CID 68574739
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
[5-(3-Phenylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155557978
US11433053, Example 16
CID 155266326
2-Methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 57542055
5-(4-Methylphenyl)-1,3-thiazole
CID 15532483
(1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 11218246
2-Methyl-5-phenylthiazole
CID 12367510
2-Isopropyl-5-phenylthiazole
CID 18340623
5-(4-Methylphenyl)-2-propan-2-yl-1,3-thiazole
CID 23571127
5-Phenyl-2-propylthiazole
CID 24751705
2-Benzyl-5-methyl-1,3-thiazole
CID 53851459

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53272743) is 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine is CC(C)c1ccc(-c2cnc(CNCC3CC3)s2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is UBJRDFXMLMPVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12(2)14-5-7-15(8-6-14)16-10-19-17(20-16)11-18-9-13-3-4-13/h5-8,10,12-13,18H,3-4,9,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 286.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53272743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).