N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine

C14H15Cl2N3OS — CID 138044948

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine
SMILESClc1cc(CNc2ncccc2N2CCOCC2)c(Cl)s1
InChIInChI=1S/C14H15Cl2N3OS/c15-12-8-10(13(16)21-12)9-18-14-11(2-1-3-17-14)19-4-6-20-7-5-19/h1-3,8H,4-7,9H2,(H,17,18)
InChIKeyZUDMWPGHSSKQEQ-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.90
Rot. Bonds4

About N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine

N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine (PubChem CID 138044948) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine
PubChem CID138044948
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine
SMILESClc1cc(CNc2ncccc2N2CCOCC2)c(Cl)s1
InChIInChI=1S/C14H15Cl2N3OS/c15-12-8-10(13(16)21-12)9-18-14-11(2-1-3-17-14)19-4-6-20-7-5-19/h1-3,8H,4-7,9H2,(H,17,18)
InChIKeyZUDMWPGHSSKQEQ-UHFFFAOYSA-N
XLogP3.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
CID 100696687
(2-morpholin-4-ylphenyl) 2,5-dichlorothiophene-3-sulfonate
CID 2813106
3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 18778325
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
N,N-dimethyl-1-(3-morpholin-4-yl-2-pyridinyl)methanamine
CID 156651806
2-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656413
1-(2-methylpropyl)-N-[(2-morpholin-4-ylphenyl)methyl]imidazol-2-amine
CID 100662984
N-(3-chloro-2-pyridinyl)morpholin-4-amine
CID 83025582
4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
CID 136557232
3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid
CID 122093056
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline
CID 168579906
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine (CID 138044948) is N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine is Clc1cc(CNc2ncccc2N2CCOCC2)c(Cl)s1.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine?
The InChIKey is ZUDMWPGHSSKQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c15-12-8-10(13(16)21-12)9-18-14-11(2-1-3-17-14)19-4-6-20-7-5-19/h1-3,8H,4-7,9H2,(H,17,18).
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine?
N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine has a molecular weight of 344.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 138044948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).