N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C23H26FN7O2S2 — CID 163271764

IUPACN-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC(CN3CC(F)C3)c3cc(NSC4CC4)ccn3)s2)n1
InChIInChI=1S/C23H26FN7O2S2/c1-2-33-21-10-25-8-18(28-21)20-9-27-23(34-20)22(32)29-19(13-31-11-14(24)12-31)17-7-15(5-6-26-17)30-35-16-3-4-16/h5-10,14,16,19H,2-4,11-13H2,1H3,(H,26,30)(H,29,32)
InChIKeyDDMQSGAXOBFHDX-UHFFFAOYSA-N
MW515.64 g/mol
LogP3.74
Rot. Bonds11

About N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271764) has the molecular formula C23H26FN7O2S2 and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271764
Molecular FormulaC23H26FN7O2S2
Molecular Weight515.64 g/mol
Exact Mass515.16
IUPAC NameN-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC(CN3CC(F)C3)c3cc(NSC4CC4)ccn3)s2)n1
InChIInChI=1S/C23H26FN7O2S2/c1-2-33-21-10-25-8-18(28-21)20-9-27-23(34-20)22(32)29-19(13-31-11-14(24)12-31)17-7-15(5-6-26-17)30-35-16-3-4-16/h5-10,14,16,19H,2-4,11-13H2,1H3,(H,26,30)(H,29,32)
InChIKeyDDMQSGAXOBFHDX-UHFFFAOYSA-N
XLogP3.74
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271764) is N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NC(CN3CC(F)C3)c3cc(NSC4CC4)ccn3)s2)n1.
What is the InChIKey of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is DDMQSGAXOBFHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2S2/c1-2-33-21-10-25-8-18(28-21)20-9-27-23(34-20)22(32)29-19(13-31-11-14(24)12-31)17-7-15(5-6-26-17)30-35-16-3-4-16/h5-10,14,16,19H,2-4,11-13H2,1H3,(H,26,30)(H,29,32).
What are the key properties of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 515.64 g/mol, XLogP of 3.74, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).