2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide

C23H24FN3O2S — CID 55899827

IUPAC2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H24FN3O2S/c1-16-22(30-21(25-16)14-17-6-8-19(24)9-7-17)23(28)26-20-5-3-2-4-18(20)15-27-10-12-29-13-11-27/h2-9H,10-15H2,1H3,(H,26,28)
InChIKeyTVTYDDAXYXXEGX-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.27
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide

2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55899827) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID55899827
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H24FN3O2S/c1-16-22(30-21(25-16)14-17-6-8-19(24)9-7-17)23(28)26-20-5-3-2-4-18(20)15-27-10-12-29-13-11-27/h2-9H,10-15H2,1H3,(H,26,28)
InChIKeyTVTYDDAXYXXEGX-UHFFFAOYSA-N
XLogP4.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387463
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
CID 46971835
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143
4-[[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542359
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 71914954
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55670322
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110387457
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55676715

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 55899827) is 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TVTYDDAXYXXEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-16-22(30-21(25-16)14-17-6-8-19(24)9-7-17)23(28)26-20-5-3-2-4-18(20)15-27-10-12-29-13-11-27/h2-9H,10-15H2,1H3,(H,26,28).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55899827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).