4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

C18H14ClN5O2S2 — CID 46836656

IUPAC4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccn2)nc1-c1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN5O2S2/c1-12-17(23-18(27-12)22-16-4-2-3-9-20-16)13-10-21-24(11-13)28(25,26)15-7-5-14(19)6-8-15/h2-11H,1H3,(H,20,22,23)
InChIKeyHPXKRPMKTMINIG-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.34
Rot. Bonds5

About 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 46836656) has the molecular formula C18H14ClN5O2S2 and a molecular weight of 431.93 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID46836656
Molecular FormulaC18H14ClN5O2S2
Molecular Weight431.93 g/mol
Exact Mass431.03
IUPAC Name4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccn2)nc1-c1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN5O2S2/c1-12-17(23-18(27-12)22-16-4-2-3-9-20-16)13-10-21-24(11-13)28(25,26)15-7-5-14(19)6-8-15/h2-11H,1H3,(H,20,22,23)
InChIKeyHPXKRPMKTMINIG-UHFFFAOYSA-N
XLogP4.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 46836656) is 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1sc(Nc2ccccn2)nc1-c1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is HPXKRPMKTMINIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S2/c1-12-17(23-18(27-12)22-16-4-2-3-9-20-16)13-10-21-24(11-13)28(25,26)15-7-5-14(19)6-8-15/h2-11H,1H3,(H,20,22,23).
What are the key properties of 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 431.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)sulfonylpyrazol-4-yl]-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46836656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).