N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide

C45H44N8O4S2 — CID 87235906

IUPACN-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(OCCN3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C28H29N5O3S.C17H15N3OS/c1-20-7-8-23(17-25(20)31-28-32-26(19-37-28)22-5-3-9-29-18-22)30-27(34)21-4-2-6-24(16-21)36-15-12-33-10-13-35-14-11-33;1-11-4-5-12(17(18)21)7-14(11)8-16-20-15(10-22-16)13-3-2-6-19-9-13/h2-9,16-19H,10-15H2,1H3,(H,30,34)(H,31,32);2-7,9-10H,8H2,1H3,(H2,18,21)
InChIKeyNVYLLQANQOPFHP-UHFFFAOYSA-N
MW825.03 g/mol
LogP8.42
Rot. Bonds13

About N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide

N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 87235906) has the molecular formula C45H44N8O4S2 and a molecular weight of 825.03 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID87235906
Molecular FormulaC45H44N8O4S2
Molecular Weight825.03 g/mol
Exact Mass824.29
IUPAC NameN-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(OCCN3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C28H29N5O3S.C17H15N3OS/c1-20-7-8-23(17-25(20)31-28-32-26(19-37-28)22-5-3-9-29-18-22)30-27(34)21-4-2-6-24(16-21)36-15-12-33-10-13-35-14-11-33;1-11-4-5-12(17(18)21)7-14(11)8-16-20-15(10-22-16)13-3-2-6-19-9-13/h2-9,16-19H,10-15H2,1H3,(H,30,34)(H,31,32);2-7,9-10H,8H2,1H3,(H2,18,21)
InChIKeyNVYLLQANQOPFHP-UHFFFAOYSA-N
XLogP8.42
TPSA157.48 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.03
LogP ≤ 58.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]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-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide (CID 87235906) is N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide is Cc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(OCCN3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is NVYLLQANQOPFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3S.C17H15N3OS/c1-20-7-8-23(17-25(20)31-28-32-26(19-37-28)22-5-3-9-29-18-22)30-27(34)21-4-2-6-24(16-21)36-15-12-33-10-13-35-14-11-33;1-11-4-5-12(17(18)21)7-14(11)8-16-20-15(10-22-16)13-3-2-6-19-9-13/h2-9,16-19H,10-15H2,1H3,(H,30,34)(H,31,32);2-7,9-10H,8H2,1H3,(H2,18,21).
What are the key properties of N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide?
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 825.03 g/mol, XLogP of 8.42, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 87235906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).