N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide

C19H22ClFN4O2S — CID 155883453

IUPACN-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCc1csc(C2CC(=O)NC(c3c(Cl)ccc(CNC(=O)C(C)C)c3F)N2)n1
InChIInChI=1S/C19H22ClFN4O2S/c1-9(2)18(27)22-7-11-4-5-12(20)15(16(11)21)17-24-13(6-14(26)25-17)19-23-10(3)8-28-19/h4-5,8-9,13,17,24H,6-7H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyNRSUARYAHQYBQP-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.37
Rot. Bonds5

About N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide

N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide (PubChem CID 155883453) has the molecular formula C19H22ClFN4O2S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
PubChem CID155883453
Molecular FormulaC19H22ClFN4O2S
Molecular Weight424.93 g/mol
Exact Mass424.11
IUPAC NameN-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCc1csc(C2CC(=O)NC(c3c(Cl)ccc(CNC(=O)C(C)C)c3F)N2)n1
InChIInChI=1S/C19H22ClFN4O2S/c1-9(2)18(27)22-7-11-4-5-12(20)15(16(11)21)17-24-13(6-14(26)25-17)19-23-10(3)8-28-19/h4-5,8-9,13,17,24H,6-7H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyNRSUARYAHQYBQP-UHFFFAOYSA-N
XLogP3.37
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide (CID 155883453) is N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide is Cc1csc(C2CC(=O)NC(c3c(Cl)ccc(CNC(=O)C(C)C)c3F)N2)n1.
What is the InChIKey of N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is NRSUARYAHQYBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2S/c1-9(2)18(27)22-7-11-4-5-12(20)15(16(11)21)17-24-13(6-14(26)25-17)19-23-10(3)8-28-19/h4-5,8-9,13,17,24H,6-7H2,1-3H3,(H,22,27)(H,25,26).
What are the key properties of N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 424.93 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-fluoro-3-[4-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).