N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide

C18H22N8O2S2 — CID 15979014

IUPACN,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1
InChIInChI=1S/C18H22N8O2S2/c1-24(2)30(27,28)26-7-5-25(6-8-26)15-3-4-21-17(9-15)23-18-22-12-16(29-18)14-10-19-13-20-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyXLDSADWKTSEZEV-UHFFFAOYSA-N
MW446.56 g/mol
LogP1.67
Rot. Bonds6

About N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide (PubChem CID 15979014) has the molecular formula C18H22N8O2S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide
PubChem CID15979014
Molecular FormulaC18H22N8O2S2
Molecular Weight446.56 g/mol
Exact Mass446.13
IUPAC NameN,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1
InChIInChI=1S/C18H22N8O2S2/c1-24(2)30(27,28)26-7-5-25(6-8-26)15-3-4-21-17(9-15)23-18-22-12-16(29-18)14-10-19-13-20-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyXLDSADWKTSEZEV-UHFFFAOYSA-N
XLogP1.67
TPSA107.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide (CID 15979014) is N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide?
The InChIKey is XLDSADWKTSEZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2S2/c1-24(2)30(27,28)26-7-5-25(6-8-26)15-3-4-21-17(9-15)23-18-22-12-16(29-18)14-10-19-13-20-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,21,22,23).
What are the key properties of N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide has a molecular weight of 446.56 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide is sourced from PubChem (CID 15979014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).