2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C17H13F3N3OPS — CID 90448889

IUPAC2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccnc(P)c1
InChIInChI=1S/C17H13F3N3OPS/c18-17(19,20)12-3-1-10(2-4-12)7-13-9-22-16(26-13)23-15(24)11-5-6-21-14(25)8-11/h1-6,8-9H,7,25H2,(H,22,23,24)
InChIKeyGFOSMUJSQSGGHZ-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.90
Rot. Bonds4

About 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 90448889) has the molecular formula C17H13F3N3OPS and a molecular weight of 395.35 g/mol. Its IUPAC name is 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID90448889
Molecular FormulaC17H13F3N3OPS
Molecular Weight395.35 g/mol
Exact Mass395.05
IUPAC Name2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccnc(P)c1
InChIInChI=1S/C17H13F3N3OPS/c18-17(19,20)12-3-1-10(2-4-12)7-13-9-22-16(26-13)23-15(24)11-5-6-21-14(25)8-11/h1-6,8-9H,7,25H2,(H,22,23,24)
InChIKeyGFOSMUJSQSGGHZ-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 78843674
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23792381
6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 90448755
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
3-[[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074623
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
4-amino-3-methoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 120587824
4-(imidazol-1-ylmethyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55719248

Frequently Asked Questions

What is the IUPAC name of 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 90448889) is 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccnc(P)c1.
What is the InChIKey of 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GFOSMUJSQSGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N3OPS/c18-17(19,20)12-3-1-10(2-4-12)7-13-9-22-16(26-13)23-15(24)11-5-6-21-14(25)8-11/h1-6,8-9H,7,25H2,(H,22,23,24).
What are the key properties of 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 395.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 90448889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).