2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide

C19H19FN6OS2 — CID 138701449

IUPAC2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ncc(-c2cncc(F)c2)cn1)c1csc(NSC2CC2)n1
InChIInChI=1S/C19H19FN6OS2/c1-19(2,15-10-28-18(24-15)26-29-14-3-4-14)16(27)25-17-22-7-12(8-23-17)11-5-13(20)9-21-6-11/h5-10,14H,3-4H2,1-2H3,(H,24,26)(H,22,23,25,27)
InChIKeyDILGNLDYHLTARJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.27
Rot. Bonds7

About 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide

2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 138701449) has the molecular formula C19H19FN6OS2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
PubChem CID138701449
Molecular FormulaC19H19FN6OS2
Molecular Weight430.53 g/mol
Exact Mass430.10
IUPAC Name2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ncc(-c2cncc(F)c2)cn1)c1csc(NSC2CC2)n1
InChIInChI=1S/C19H19FN6OS2/c1-19(2,15-10-28-18(24-15)26-29-14-3-4-14)16(27)25-17-22-7-12(8-23-17)11-5-13(20)9-21-6-11/h5-10,14H,3-4H2,1-2H3,(H,24,26)(H,22,23,25,27)
InChIKeyDILGNLDYHLTARJ-UHFFFAOYSA-N
XLogP4.27
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138701429
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 138673862
N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701333
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-ethyl-N-[4-(5-fluoro-3-pyridinyl)phenyl]butanamide
CID 138701381
N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673795
2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-methylpropanamide
CID 139515537
4-(5-fluoro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820773
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide
CID 138701156
N-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701389
N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138674012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide (CID 138701449) is 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ncc(-c2cncc(F)c2)cn1)c1csc(NSC2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is DILGNLDYHLTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6OS2/c1-19(2,15-10-28-18(24-15)26-29-14-3-4-14)16(27)25-17-22-7-12(8-23-17)11-5-13(20)9-21-6-11/h5-10,14H,3-4H2,1-2H3,(H,24,26)(H,22,23,25,27).
What are the key properties of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 430.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 138701449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).