N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C20H19ClN4O2S — CID 53119200

IUPACN-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1csc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C20H19ClN4O2S/c21-16-4-2-1-3-15(16)12-23-19(26)17-13-28-20(24-17)14-5-6-22-18(11-14)25-7-9-27-10-8-25/h1-6,11,13H,7-10,12H2,(H,23,26)
InChIKeyADIFHPHRBAJSSK-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.63
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53119200) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53119200
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1csc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C20H19ClN4O2S/c21-16-4-2-1-3-15(16)12-23-19(26)17-13-28-20(24-17)14-5-6-22-18(11-14)25-7-9-27-10-8-25/h1-6,11,13H,7-10,12H2,(H,23,26)
InChIKeyADIFHPHRBAJSSK-UHFFFAOYSA-N
XLogP3.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036726
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751
N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119274
N-butyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119268
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119281
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95089020
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53119289
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119213
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 95089018
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732
N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 95986830

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53119200) is N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1Cl)c1csc(-c2ccnc(N3CCOCC3)c2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ADIFHPHRBAJSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c21-16-4-2-1-3-15(16)12-23-19(26)17-13-28-20(24-17)14-5-6-22-18(11-14)25-7-9-27-10-8-25/h1-6,11,13H,7-10,12H2,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53119200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).