N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C19H16F3N5OS2 — CID 163271267

IUPACN-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1cc(NSC2CC2)ccn1)c1ncc(-c2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H16F3N5OS2/c20-19(21,22)12-5-11(7-23-8-12)16-10-26-18(29-16)17(28)25-9-14-6-13(3-4-24-14)27-30-15-1-2-15/h3-8,10,15H,1-2,9H2,(H,24,27)(H,25,28)
InChIKeyHTKZFZYWPFNMCU-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.77
Rot. Bonds7

About N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide

N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 163271267) has the molecular formula C19H16F3N5OS2 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID163271267
Molecular FormulaC19H16F3N5OS2
Molecular Weight451.50 g/mol
Exact Mass451.07
IUPAC NameN-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1cc(NSC2CC2)ccn1)c1ncc(-c2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H16F3N5OS2/c20-19(21,22)12-5-11(7-23-8-12)16-10-26-18(29-16)17(28)25-9-14-6-13(3-4-24-14)27-30-15-1-2-15/h3-8,10,15H,1-2,9H2,(H,24,27)(H,25,28)
InChIKeyHTKZFZYWPFNMCU-UHFFFAOYSA-N
XLogP4.77
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide
CID 163271841
2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-[5-[5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]butanamide
CID 139515421
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
CID 163271872
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251274
4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide
CID 169251760
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271764
N-cyclopropylsulfanyl-2-(methylaminomethyl)pyridin-4-amine;N,N-dimethylcyclobutanamine;5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
CID 163271905
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-[7-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazole-2-carboxamide
CID 174003417
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271787
N-[(3E)-4-(cyclopropylsulfanylamino)-2-methyliminohexa-3,5-dienyl]-5-(5-ethoxy-3-pyridinyl)-1,3-thiazole-2-carboxamide;ethane
CID 163271053
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 163271267) is N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is O=C(NCc1cc(NSC2CC2)ccn1)c1ncc(-c2cncc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HTKZFZYWPFNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5OS2/c20-19(21,22)12-5-11(7-23-8-12)16-10-26-18(29-16)17(28)25-9-14-6-13(3-4-24-14)27-30-15-1-2-15/h3-8,10,15H,1-2,9H2,(H,24,27)(H,25,28).
What are the key properties of N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).