N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

C16H22N2OS — CID 105170940

IUPACN-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)c1ccccc1OC(C)C
InChIInChI=1S/C16H22N2OS/c1-5-17-16(14-10-20-12(4)18-14)13-8-6-7-9-15(13)19-11(2)3/h6-11,16-17H,5H2,1-4H3
InChIKeyRUWXKNMBGZBULB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.94
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 105170940) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID105170940
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)c1ccccc1OC(C)C
InChIInChI=1S/C16H22N2OS/c1-5-17-16(14-10-20-12(4)18-14)13-8-6-7-9-15(13)19-11(2)3/h6-11,16-17H,5H2,1-4H3
InChIKeyRUWXKNMBGZBULB-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 114878306
N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314
N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018408
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692741
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81396832
N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105164507
N-[(2-methyl-1,3-thiazol-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105176097
N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105148600
1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105119293
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 105170940) is N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1csc(C)n1)c1ccccc1OC(C)C.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is RUWXKNMBGZBULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-17-16(14-10-20-12(4)18-14)13-8-6-7-9-15(13)19-11(2)3/h6-11,16-17H,5H2,1-4H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105170940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).