[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine

C14H14N4O2S2 — CID 130358315

IUPAC[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCn1cc(-c2cccc(S(=O)(=O)c3cnc(CN)s3)c2)cn1
InChIInChI=1S/C14H14N4O2S2/c1-18-9-11(7-17-18)10-3-2-4-12(5-10)22(19,20)14-8-16-13(6-15)21-14/h2-5,7-9H,6,15H2,1H3
InChIKeyZFLLYOVLKLVXCJ-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.84
Rot. Bonds4

About [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine

[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130358315) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130358315
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCn1cc(-c2cccc(S(=O)(=O)c3cnc(CN)s3)c2)cn1
InChIInChI=1S/C14H14N4O2S2/c1-18-9-11(7-17-18)10-3-2-4-12(5-10)22(19,20)14-8-16-13(6-15)21-14/h2-5,7-9H,6,15H2,1H3
InChIKeyZFLLYOVLKLVXCJ-UHFFFAOYSA-N
XLogP1.84
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130358315) is [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine is Cn1cc(-c2cccc(S(=O)(=O)c3cnc(CN)s3)c2)cn1.
What is the InChIKey of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is ZFLLYOVLKLVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-18-9-11(7-17-18)10-3-2-4-12(5-10)22(19,20)14-8-16-13(6-15)21-14/h2-5,7-9H,6,15H2,1H3.
What are the key properties of [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 334.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130358315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).