3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide

C22H17FN4O2S — CID 73168622

IUPAC3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1F
InChIInChI=1S/C22H17FN4O2S/c1-29-20-9-6-15(11-18(20)23)21(28)25-16-7-4-14(5-8-16)19-13-30-22(27-19)26-17-3-2-10-24-12-17/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyDCGNNVPWEXWOKC-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.35
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide

3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 73168622) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID73168622
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1F
InChIInChI=1S/C22H17FN4O2S/c1-29-20-9-6-15(11-18(20)23)21(28)25-16-7-4-14(5-8-16)19-13-30-22(27-19)26-17-3-2-10-24-12-17/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyDCGNNVPWEXWOKC-UHFFFAOYSA-N
XLogP5.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide
CID 72720070
N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 72720049
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 86665636

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 73168622) is 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is DCGNNVPWEXWOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-29-20-9-6-15(11-18(20)23)21(28)25-16-7-4-14(5-8-16)19-13-30-22(27-19)26-17-3-2-10-24-12-17/h2-13H,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 73168622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).