N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide

C22H26N6OS — CID 24831957

IUPACN,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4cccc(C(=O)N(C)C)c4)s3)c2)CC1
InChIInChI=1S/C22H26N6OS/c1-26(2)21(29)17-6-4-5-16(13-17)19-15-24-22(30-19)25-20-14-18(7-8-23-20)28-11-9-27(3)10-12-28/h4-8,13-15H,9-12H2,1-3H3,(H,23,24,25)
InChIKeyJABDTARJQFQUDF-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.40
Rot. Bonds5

About N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide

N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide (PubChem CID 24831957) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide
PubChem CID24831957
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC NameN,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4cccc(C(=O)N(C)C)c4)s3)c2)CC1
InChIInChI=1S/C22H26N6OS/c1-26(2)21(29)17-6-4-5-16(13-17)19-15-24-22(30-19)25-20-14-18(7-8-23-20)28-11-9-27(3)10-12-28/h4-8,13-15H,9-12H2,1-3H3,(H,23,24,25)
InChIKeyJABDTARJQFQUDF-UHFFFAOYSA-N
XLogP3.40
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide 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-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide (CID 24831957) is N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide is CN1CCN(c2ccnc(Nc3ncc(-c4cccc(C(=O)N(C)C)c4)s3)c2)CC1.
What is the InChIKey of N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide?
The InChIKey is JABDTARJQFQUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-26(2)21(29)17-6-4-5-16(13-17)19-15-24-22(30-19)25-20-14-18(7-8-23-20)28-11-9-27(3)10-12-28/h4-8,13-15H,9-12H2,1-3H3,(H,23,24,25).
What are the key properties of N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide?
N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide has a molecular weight of 422.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 24831957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).