2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide

C24H26FN3O3S — CID 1172776

IUPAC2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C24H26FN3O3S/c1-30-19-9-7-18(8-10-19)22-17-32-24(26-22)28(12-4-11-27-13-15-31-16-14-27)23(29)20-5-2-3-6-21(20)25/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyPEPGNEXSJDYOST-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.33
Rot. Bonds8

About 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide

2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 1172776) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID1172776
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Name2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C24H26FN3O3S/c1-30-19-9-7-18(8-10-19)22-17-32-24(26-22)28(12-4-11-27-13-15-31-16-14-27)23(29)20-5-2-3-6-21(20)25/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyPEPGNEXSJDYOST-UHFFFAOYSA-N
XLogP4.33
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175856
N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 11524975
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667869
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
CID 6603084
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide
CID 29070116
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1138644
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide;hydrochloride
CID 44935347
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
CID 1175983
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615588
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 43999535
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 29070738
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
CID 44933142

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 1172776) is 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccccc3F)n2)cc1.
What is the InChIKey of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is PEPGNEXSJDYOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-30-19-9-7-18(8-10-19)22-17-32-24(26-22)28(12-4-11-27-13-15-31-16-14-27)23(29)20-5-2-3-6-21(20)25/h2-3,5-10,17H,4,11-16H2,1H3.
What are the key properties of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 455.56 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 1172776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).