2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

C17H22N2OS — CID 116730659

IUPAC2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(C(OC)C2CC2)nc1-c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-18-11-10-14-15(12-6-4-3-5-7-12)19-17(21-14)16(20-2)13-8-9-13/h3-7,13,16,18H,8-11H2,1-2H3
InChIKeyQEDPRWSUCBYJAG-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 116730659) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID116730659
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(C(OC)C2CC2)nc1-c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-18-11-10-14-15(12-6-4-3-5-7-12)19-17(21-14)16(20-2)13-8-9-13/h3-7,13,16,18H,8-11H2,1-2H3
InChIKeyQEDPRWSUCBYJAG-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730678
N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786315
2-[2-[(dimethylamino)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79786314
2-[2-(furan-3-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79786485
1-[2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366002
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174281
N-methyl-2-[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
CID 79786398
2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79782622
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 141180852
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730560
1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362453

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 116730659) is 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1sc(C(OC)C2CC2)nc1-c1ccccc1.
What is the InChIKey of 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is QEDPRWSUCBYJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-18-11-10-14-15(12-6-4-3-5-7-12)19-17(21-14)16(20-2)13-8-9-13/h3-7,13,16,18H,8-11H2,1-2H3.
What are the key properties of 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 116730659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).