4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide

C14H14N6O2S2 — CID 71562397

IUPAC4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCNc1ncc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-6-7-17-13(20-11)19-9-2-4-10(5-3-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)
InChIKeyBWONSNVPSAEXDY-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.03
Rot. Bonds5

About 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 71562397) has the molecular formula C14H14N6O2S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID71562397
Molecular FormulaC14H14N6O2S2
Molecular Weight362.44 g/mol
Exact Mass362.06
IUPAC Name4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCNc1ncc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-6-7-17-13(20-11)19-9-2-4-10(5-3-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)
InChIKeyBWONSNVPSAEXDY-UHFFFAOYSA-N
XLogP2.03
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide (CID 71562397) is 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide is CNc1ncc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1.
What is the InChIKey of 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is BWONSNVPSAEXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-6-7-17-13(20-11)19-9-2-4-10(5-3-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20).
What are the key properties of 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 362.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 71562397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).