N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

C22H24N4O2S — CID 166183456

IUPACN-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCC(C)(C)c1nc(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cs1
InChIInChI=1S/C22H24N4O2S/c1-22(2,3)21-26-18(14-29-21)12-19(27)24-13-15-4-6-17(7-5-15)25-20(28)16-8-10-23-11-9-16/h4-11,14H,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyAFNMUOZDIFBRMB-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 166183456) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID166183456
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCC(C)(C)c1nc(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cs1
InChIInChI=1S/C22H24N4O2S/c1-22(2,3)21-26-18(14-29-21)12-19(27)24-13-15-4-6-17(7-5-15)25-20(28)16-8-10-23-11-9-16/h4-11,14H,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyAFNMUOZDIFBRMB-UHFFFAOYSA-N
XLogP3.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 41159444
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 110450777

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 166183456) is N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is CC(C)(C)c1nc(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cs1.
What is the InChIKey of N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is AFNMUOZDIFBRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-22(2,3)21-26-18(14-29-21)12-19(27)24-13-15-4-6-17(7-5-15)25-20(28)16-8-10-23-11-9-16/h4-11,14H,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 166183456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).