4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide

C19H18ClN3OS — CID 144901388

IUPAC4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3cnn(-c4ccccc4Cl)c3)cc2)CC1
InChIInChI=1S/C19H18ClN3OS/c20-18-3-1-2-4-19(18)23-14-16(13-21-23)15-5-7-17(8-6-15)22-9-11-25(24)12-10-22/h1-8,13-14H,9-12H2
InChIKeyYOBRLMUMVUPOLJ-UHFFFAOYSA-N
MW371.89 g/mol
LogP3.76
Rot. Bonds3

About 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide

4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide (PubChem CID 144901388) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
PubChem CID144901388
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3cnn(-c4ccccc4Cl)c3)cc2)CC1
InChIInChI=1S/C19H18ClN3OS/c20-18-3-1-2-4-19(18)23-14-16(13-21-23)15-5-7-17(8-6-15)22-9-11-25(24)12-10-22/h1-8,13-14H,9-12H2
InChIKeyYOBRLMUMVUPOLJ-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144901301
2-fluoro-5-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]pyrazol-1-yl]benzonitrile
CID 144901331
1,1,1-trifluoro-2-[4-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]pyrazol-1-yl]phenyl]propan-2-ol
CID 166813596
4-[4-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide;N-(1-cyanocyclopropyl)cyclohexanecarboxamide
CID 144901300
1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 49163632
4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine
CID 166813599
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839576
N-(1-cyanocyclopropyl)cyclohexanecarboxamide;4-[4-[1-(1H-indol-5-yl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144901440
N-(1-cyanocyclopropyl)cyclohexanecarboxamide;5-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 144901409

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide (CID 144901388) is 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide is O=S1CCN(c2ccc(-c3cnn(-c4ccccc4Cl)c3)cc2)CC1.
What is the InChIKey of 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The InChIKey is YOBRLMUMVUPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-18-3-1-2-4-19(18)23-14-16(13-21-23)15-5-7-17(8-6-15)22-9-11-25(24)12-10-22/h1-8,13-14H,9-12H2.
What are the key properties of 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide has a molecular weight of 371.89 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-chlorophenyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 144901388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).