4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine

C13H17ClN4OS — CID 170408936

IUPAC4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1sc(-c2cnn(CCN3CCOCC3)c2)nc1Cl
InChIInChI=1S/C13H17ClN4OS/c1-10-12(14)16-13(20-10)11-8-15-18(9-11)3-2-17-4-6-19-7-5-17/h8-9H,2-7H2,1H3
InChIKeyAVTYSSNKFAWEFR-UHFFFAOYSA-N
MW312.83 g/mol
LogP2.30
Rot. Bonds4

About 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine

4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 170408936) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine
PubChem CID170408936
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1sc(-c2cnn(CCN3CCOCC3)c2)nc1Cl
InChIInChI=1S/C13H17ClN4OS/c1-10-12(14)16-13(20-10)11-8-15-18(9-11)3-2-17-4-6-19-7-5-17/h8-9H,2-7H2,1H3
InChIKeyAVTYSSNKFAWEFR-UHFFFAOYSA-N
XLogP2.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine (CID 170408936) is 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine is Cc1sc(-c2cnn(CCN3CCOCC3)c2)nc1Cl.
What is the InChIKey of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is AVTYSSNKFAWEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4OS/c1-10-12(14)16-13(20-10)11-8-15-18(9-11)3-2-17-4-6-19-7-5-17/h8-9H,2-7H2,1H3.
What are the key properties of 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 312.83 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chloro-5-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 170408936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).