2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine

C14H21N5OS — CID 154805489

IUPAC2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESCc1ccc(C(CNCc2cn[nH]n2)N2CCOCC2)s1
InChIInChI=1S/C14H21N5OS/c1-11-2-3-14(21-11)13(19-4-6-20-7-5-19)10-15-8-12-9-16-18-17-12/h2-3,9,13,15H,4-8,10H2,1H3,(H,16,17,18)
InChIKeyYHVPKLNANWUMLA-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.34
Rot. Bonds6

About 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine

2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine (PubChem CID 154805489) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine
PubChem CID154805489
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESCc1ccc(C(CNCc2cn[nH]n2)N2CCOCC2)s1
InChIInChI=1S/C14H21N5OS/c1-11-2-3-14(21-11)13(19-4-6-20-7-5-19)10-15-8-12-9-16-18-17-12/h2-3,9,13,15H,4-8,10H2,1H3,(H,16,17,18)
InChIKeyYHVPKLNANWUMLA-UHFFFAOYSA-N
XLogP1.34
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 95751301
6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 133460472
N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 86903292
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 119127575
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111721914
2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111966221
2-(2-methylpropyl)-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111721957
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylpropanamide
CID 75424213
(2S)-N-[(2R)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97071497
1-benzyl-2-methyl-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111965898
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 86898790
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pentylguanidine
CID 111966041

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine (CID 154805489) is 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine is Cc1ccc(C(CNCc2cn[nH]n2)N2CCOCC2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine?
The InChIKey is YHVPKLNANWUMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-11-2-3-14(21-11)13(19-4-6-20-7-5-19)10-15-8-12-9-16-18-17-12/h2-3,9,13,15H,4-8,10H2,1H3,(H,16,17,18).
What are the key properties of 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine?
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine has a molecular weight of 307.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 154805489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).