[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine

C11H16ClN5OS — CID 105189938

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)c1c(Cl)cnn1CCOC
InChIInChI=1S/C11H16ClN5OS/c1-3-8-11(19-16-15-8)9(13)10-7(12)6-14-17(10)4-5-18-2/h6,9H,3-5,13H2,1-2H3
InChIKeyMGAJKQKHJBRUBH-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.64
Rot. Bonds6

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine (PubChem CID 105189938) has the molecular formula C11H16ClN5OS and a molecular weight of 301.80 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine
PubChem CID105189938
Molecular FormulaC11H16ClN5OS
Molecular Weight301.80 g/mol
Exact Mass301.08
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)c1c(Cl)cnn1CCOC
InChIInChI=1S/C11H16ClN5OS/c1-3-8-11(19-16-15-8)9(13)10-7(12)6-14-17(10)4-5-18-2/h6,9H,3-5,13H2,1-2H3
InChIKeyMGAJKQKHJBRUBH-UHFFFAOYSA-N
XLogP1.64
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanamine
CID 105189953
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylphenyl)methanamine
CID 114646633
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methyltriazol-4-yl)methanamine
CID 112735905
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
CID 105054688
(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 105132690
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977808
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine
CID 102804643
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methanamine
CID 105054719
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine (CID 105189938) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine is CCc1nnsc1C(N)c1c(Cl)cnn1CCOC.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine?
The InChIKey is MGAJKQKHJBRUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5OS/c1-3-8-11(19-16-15-8)9(13)10-7(12)6-14-17(10)4-5-18-2/h6,9H,3-5,13H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine has a molecular weight of 301.80 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105189938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).