4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

C20H17N5O2S3 — CID 22994101

IUPAC4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1-c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C20H17N5O2S3/c21-18-17(19-23-15(12-28-19)7-6-13-4-2-1-3-5-13)29-20(25-18)24-14-8-10-16(11-9-14)30(22,26)27/h1-12H,21H2,(H,24,25)(H2,22,26,27)/b7-6+
InChIKeyHZMFIVLAMBOPHI-VOTSOKGWSA-N
MW455.59 g/mol
LogP4.41
Rot. Bonds6

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

4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 22994101) has the molecular formula C20H17N5O2S3 and a molecular weight of 455.59 g/mol. Its IUPAC name is 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID22994101
Molecular FormulaC20H17N5O2S3
Molecular Weight455.59 g/mol
Exact Mass455.05
IUPAC Name4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1-c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C20H17N5O2S3/c21-18-17(19-23-15(12-28-19)7-6-13-4-2-1-3-5-13)29-20(25-18)24-14-8-10-16(11-9-14)30(22,26)27/h1-12H,21H2,(H,24,25)(H2,22,26,27)/b7-6+
InChIKeyHZMFIVLAMBOPHI-VOTSOKGWSA-N
XLogP4.41
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 22994101) is 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1-c1nc(/C=C/c2ccccc2)cs1.
What is the InChIKey of 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is HZMFIVLAMBOPHI-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H17N5O2S3/c21-18-17(19-23-15(12-28-19)7-6-13-4-2-1-3-5-13)29-20(25-18)24-14-8-10-16(11-9-14)30(22,26)27/h1-12H,21H2,(H,24,25)(H2,22,26,27)/b7-6+.
What are the key properties of 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 455.59 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 22994101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).