N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

C19H22N2OS2 — CID 110221833

IUPACN-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
SMILESCC(C)Oc1cccc(CNC(Cc2ccsc2)c2nccs2)c1
InChIInChI=1S/C19H22N2OS2/c1-14(2)22-17-5-3-4-15(10-17)12-21-18(19-20-7-9-24-19)11-16-6-8-23-13-16/h3-10,13-14,18,21H,11-12H2,1-2H3
InChIKeyUUCLUOYKZWYDGU-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.07
Rot. Bonds8

About N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine (PubChem CID 110221833) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
PubChem CID110221833
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC NameN-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
SMILESCC(C)Oc1cccc(CNC(Cc2ccsc2)c2nccs2)c1
InChIInChI=1S/C19H22N2OS2/c1-14(2)22-17-5-3-4-15(10-17)12-21-18(19-20-7-9-24-19)11-16-6-8-23-13-16/h3-10,13-14,18,21H,11-12H2,1-2H3
InChIKeyUUCLUOYKZWYDGU-UHFFFAOYSA-N
XLogP5.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine (CID 110221833) is N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine is CC(C)Oc1cccc(CNC(Cc2ccsc2)c2nccs2)c1.
What is the InChIKey of N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The InChIKey is UUCLUOYKZWYDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-14(2)22-17-5-3-4-15(10-17)12-21-18(19-20-7-9-24-19)11-16-6-8-23-13-16/h3-10,13-14,18,21H,11-12H2,1-2H3.
What are the key properties of N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine has a molecular weight of 358.53 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 110221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).