4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C19H17ClN4O2S — CID 71111886

IUPAC4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H17ClN4O2S/c20-17-16(27-19(23-17)13-4-3-7-21-12-13)18(25)22-14-5-1-2-6-15(14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
InChIKeyMSILJBCAYJASGK-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.95
Rot. Bonds4

About 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71111886) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID71111886
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H17ClN4O2S/c20-17-16(27-19(23-17)13-4-3-7-21-12-13)18(25)22-14-5-1-2-6-15(14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
InChIKeyMSILJBCAYJASGK-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

4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 166319617
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 3861858
1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one
CID 149029882
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3970288
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
N-(2-morpholin-4-ylphenyl)-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208629

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 71111886) is 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MSILJBCAYJASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-17-16(27-19(23-17)13-4-3-7-21-12-13)18(25)22-14-5-1-2-6-15(14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25).
What are the key properties of 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-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 4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71111886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).