4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C14H20ClN5O2S2 — CID 55870242

IUPAC4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cs1
InChIInChI=1S/C14H20ClN5O2S2/c1-10-13(14(15)18(3)17-10)24(21,22)20-6-4-19(5-7-20)8-12-9-23-11(2)16-12/h9H,4-8H2,1-3H3
InChIKeyDSXYMNJXCBDRSJ-UHFFFAOYSA-N
MW389.93 g/mol
LogP1.65
Rot. Bonds4

About 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 55870242) has the molecular formula C14H20ClN5O2S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID55870242
Molecular FormulaC14H20ClN5O2S2
Molecular Weight389.93 g/mol
Exact Mass389.07
IUPAC Name4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cs1
InChIInChI=1S/C14H20ClN5O2S2/c1-10-13(14(15)18(3)17-10)24(21,22)20-6-4-19(5-7-20)8-12-9-23-11(2)16-12/h9H,4-8H2,1-3H3
InChIKeyDSXYMNJXCBDRSJ-UHFFFAOYSA-N
XLogP1.65
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 55870242) is 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cs1.
What is the InChIKey of 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is DSXYMNJXCBDRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O2S2/c1-10-13(14(15)18(3)17-10)24(21,22)20-6-4-19(5-7-20)8-12-9-23-11(2)16-12/h9H,4-8H2,1-3H3.
What are the key properties of 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 389.93 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 55870242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).