N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C20H20FN3O2S2 — CID 71890376

IUPACN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S2/c1-13-18(28-20(23-13)15-4-9-27-12-15)19(25)22-11-14-2-3-17(16(21)10-14)24-5-7-26-8-6-24/h2-4,9-10,12H,5-8,11H2,1H3,(H,22,25)
InChIKeyHEDDMCRVAKJMOU-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.09
Rot. Bonds5

About N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71890376) has the molecular formula C20H20FN3O2S2 and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID71890376
Molecular FormulaC20H20FN3O2S2
Molecular Weight417.53 g/mol
Exact Mass417.10
IUPAC NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S2/c1-13-18(28-20(23-13)15-4-9-27-12-15)19(25)22-11-14-2-3-17(16(21)10-14)24-5-7-26-8-6-24/h2-4,9-10,12H,5-8,11H2,1H3,(H,22,25)
InChIKeyHEDDMCRVAKJMOU-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}thiophene-2-carboxamide
CID 7207745
N-[3-(6-fluoro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 124112035
N-[3-(5-fluoro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 124117852
N-[(5R,7R)-3-(5-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155148063
N-[(5R,7S)-3-(5-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155148066
N-[(5S)-3-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155148080
N-[(7R)-3-(5-fluoro-1,3-benzothiazol-2-yl)-7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155148098
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)(morpholino)methanone
CID 23968873
N-[(5S,7R)-3-(5-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155539775
N-[(5R)-3-(5-fluoro-1,3-benzothiazol-2-yl)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155548527
N-[(5S,7S)-3-(5-fluoro-1,3-benzothiazol-2-yl)-5,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155551170
N-[(7S)-3-(5-fluoro-1,3-benzothiazol-2-yl)-7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide
CID 155559538

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 71890376) is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HEDDMCRVAKJMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S2/c1-13-18(28-20(23-13)15-4-9-27-12-15)19(25)22-11-14-2-3-17(16(21)10-14)24-5-7-26-8-6-24/h2-4,9-10,12H,5-8,11H2,1H3,(H,22,25).
What are the key properties of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71890376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).