N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide

C19H17ClN4O2S — CID 162387018

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C19H17ClN4O2S/c20-15-4-2-1-3-14(15)17-12-27-19(22-17)23-18(25)16-6-5-13(11-21-16)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2,(H,22,23,25)
InChIKeyZMWUSXZPRHIJRT-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.95
Rot. Bonds4

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 162387018) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
PubChem CID162387018
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C19H17ClN4O2S/c20-15-4-2-1-3-14(15)17-12-27-19(22-17)23-18(25)16-6-5-13(11-21-16)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2,(H,22,23,25)
InChIKeyZMWUSXZPRHIJRT-UHFFFAOYSA-N
XLogP3.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 162386859
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
CID 162387037
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide
CID 162386884
tert-butyl 6-[6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 162386980
5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 166890909
N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184910
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 162387115
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxypyrazine-2-carboxamide
CID 162386970
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049
tert-butyl 4-[6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 162386948
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 19197399

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide (CID 162387018) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2CCOCC2)cn1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is ZMWUSXZPRHIJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-15-4-2-1-3-14(15)17-12-27-19(22-17)23-18(25)16-6-5-13(11-21-16)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2,(H,22,23,25).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 162387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).