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

C17H22N2OS — CID 116730678

IUPAC1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(c1nc(-c2ccccc2)c(CNC)s1)C1CC1
InChIInChI=1S/C17H22N2OS/c1-3-20-16(13-9-10-13)17-19-15(14(21-17)11-18-2)12-7-5-4-6-8-12/h4-8,13,16,18H,3,9-11H2,1-2H3
InChIKeyBHBVSKVXPDCNBZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.02
Rot. Bonds7

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

1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 116730678) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID116730678
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(c1nc(-c2ccccc2)c(CNC)s1)C1CC1
InChIInChI=1S/C17H22N2OS/c1-3-20-16(13-9-10-13)17-19-15(14(21-17)11-18-2)12-7-5-4-6-8-12/h4-8,13,16,18H,3,9-11H2,1-2H3
InChIKeyBHBVSKVXPDCNBZ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropyl(methoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116730659
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174281
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
1-[2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763999
N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62766165
N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine
CID 62769032
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730822
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730811
N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
CID 62764673
1-[2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366002

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 116730678) is 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCOC(c1nc(-c2ccccc2)c(CNC)s1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BHBVSKVXPDCNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-20-16(13-9-10-13)17-19-15(14(21-17)11-18-2)12-7-5-4-6-8-12/h4-8,13,16,18H,3,9-11H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 302.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116730678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).