N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide

C17H15F3N4O2S — CID 57436526

IUPACN-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCCCNc1nsc2ncccc12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)26-12-5-1-4-11(10-12)15(25)22-9-3-8-21-14-13-6-2-7-23-16(13)27-24-14/h1-2,4-7,10H,3,8-9H2,(H,21,24)(H,22,25)
InChIKeyLOMUCEZDRWHSIM-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.82
Rot. Bonds7

About N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide

N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide (PubChem CID 57436526) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide
PubChem CID57436526
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC NameN-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCCCNc1nsc2ncccc12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)26-12-5-1-4-11(10-12)15(25)22-9-3-8-21-14-13-6-2-7-23-16(13)27-24-14/h1-2,4-7,10H,3,8-9H2,(H,21,24)(H,22,25)
InChIKeyLOMUCEZDRWHSIM-UHFFFAOYSA-N
XLogP3.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
CID 122163086
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
N-[3-(1,2-benzothiazol-3-ylamino)propyl]pyridine-2-carboxamide
CID 11855264
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[3-(1,2-benzothiazol-3-ylamino)propyl]-3-(6-chloro-3-pyridinyl)benzamide
CID 57436459
N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
CID 91817311
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
N-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 142629544
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethoxy)benzamide
CID 121169854

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide (CID 57436526) is N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide is O=C(NCCCNc1nsc2ncccc12)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is LOMUCEZDRWHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c18-17(19,20)26-12-5-1-4-11(10-12)15(25)22-9-3-8-21-14-13-6-2-7-23-16(13)27-24-14/h1-2,4-7,10H,3,8-9H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide?
N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 396.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2]thiazolo[5,4-b]pyridin-3-ylamino)propyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 57436526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).