4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine

C9H15ClN4OS — CID 114400988

IUPAC4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCCN1CCOC(CNc2nsnc2Cl)C1
InChIInChI=1S/C9H15ClN4OS/c1-2-14-3-4-15-7(6-14)5-11-9-8(10)12-16-13-9/h7H,2-6H2,1H3,(H,11,13)
InChIKeyCWQAJJPJFUZCIU-UHFFFAOYSA-N
MW262.77 g/mol
LogP1.32
Rot. Bonds4

About 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine

4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine (PubChem CID 114400988) has the molecular formula C9H15ClN4OS and a molecular weight of 262.77 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
PubChem CID114400988
Molecular FormulaC9H15ClN4OS
Molecular Weight262.77 g/mol
Exact Mass262.07
IUPAC Name4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCCN1CCOC(CNc2nsnc2Cl)C1
InChIInChI=1S/C9H15ClN4OS/c1-2-14-3-4-15-7(6-14)5-11-9-8(10)12-16-13-9/h7H,2-6H2,1H3,(H,11,13)
InChIKeyCWQAJJPJFUZCIU-UHFFFAOYSA-N
XLogP1.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
CID 115733628
3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 114400497
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098
5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 113233659
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine (CID 114400988) is 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine is CCN1CCOC(CNc2nsnc2Cl)C1.
What is the InChIKey of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is CWQAJJPJFUZCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4OS/c1-2-14-3-4-15-7(6-14)5-11-9-8(10)12-16-13-9/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 262.77 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 114400988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).