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

C18H16ClN5O2S — CID 162386847

IUPAC4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCOCC2)nc1-c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C18H16ClN5O2S/c19-13-4-2-1-3-11(13)14-10-27-17(22-14)15-12(16(20)25)9-21-18(23-15)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H2,20,25)
InChIKeyOVMCAMGKGNFUJL-UHFFFAOYSA-N
MW401.88 g/mol
LogP2.86
Rot. Bonds4

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

4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 162386847) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID162386847
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC Name4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCOCC2)nc1-c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C18H16ClN5O2S/c19-13-4-2-1-3-11(13)14-10-27-17(22-14)15-12(16(20)25)9-21-18(23-15)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H2,20,25)
InChIKeyOVMCAMGKGNFUJL-UHFFFAOYSA-N
XLogP2.86
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 162387018
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 175859673
3-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 175867067
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
4-(2-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 19375958
4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
CID 59834313
2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide
CID 68789631
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 175859623
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 70247994
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 175859708
4-(2,3-dichlorophenyl)-8-morpholin-4-ylpyrido[3,2-c]pyridazine-7-carboxamide
CID 137391310

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 162386847) is 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is NC(=O)c1cnc(N2CCOCC2)nc1-c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is OVMCAMGKGNFUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c19-13-4-2-1-3-11(13)14-10-27-17(22-14)15-12(16(20)25)9-21-18(23-15)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H2,20,25).
What are the key properties of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 162386847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).