N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C20H21N3O2S — CID 53389630

IUPACN-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C20H21N3O2S/c1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h5-12H,1-4H3,(H,22,23,24)
InChIKeyFGXOJZDWXAQMCS-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.86
Rot. Bonds5

About N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 53389630) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID53389630
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C20H21N3O2S/c1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h5-12H,1-4H3,(H,22,23,24)
InChIKeyFGXOJZDWXAQMCS-UHFFFAOYSA-N
XLogP4.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide 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-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 53389630) is N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is FGXOJZDWXAQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h5-12H,1-4H3,(H,22,23,24).
What are the key properties of N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53389630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).