N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide

C19H23ClN4O3S — CID 155883276

IUPACN-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCOc1ncc(C2CC(=O)NC(c3cc(CNC(=O)C(C)C)ccc3Cl)N2)s1
InChIInChI=1S/C19H23ClN4O3S/c1-10(2)18(26)21-8-11-4-5-13(20)12(6-11)17-23-14(7-16(25)24-17)15-9-22-19(27-3)28-15/h4-6,9-10,14,17,23H,7-8H2,1-3H3,(H,21,26)(H,24,25)
InChIKeyPCUBGFCHVXNDLK-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.93
Rot. Bonds6

About N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide

N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide (PubChem CID 155883276) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
PubChem CID155883276
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCOc1ncc(C2CC(=O)NC(c3cc(CNC(=O)C(C)C)ccc3Cl)N2)s1
InChIInChI=1S/C19H23ClN4O3S/c1-10(2)18(26)21-8-11-4-5-13(20)12(6-11)17-23-14(7-16(25)24-17)15-9-22-19(27-3)28-15/h4-6,9-10,14,17,23H,7-8H2,1-3H3,(H,21,26)(H,24,25)
InChIKeyPCUBGFCHVXNDLK-UHFFFAOYSA-N
XLogP2.93
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-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

Related Compounds

US10710967, Example 43
CID 155883267
US10710967, Example 292
CID 155883507
US10710967, Example 233
CID 155903281
US10710967, Example 239
CID 155883455
US10710967, Example 293
CID 155883508
3-[(4-chloro-2-fluoro-5-methylphenyl)methyl]-1-cyclopropyl-1-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]urea
CID 165119602
3-[(4-chloro-2-fluoro-5-methylphenyl)methyl]-1-cyclopropyl-1-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]urea
CID 174350146
3-acetamido-3-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55494138
3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55614183
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 56295047
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-propan-2-ylpiperazin-1-yl]ethanone
CID 60009179
2-(1-Acetylpiperidin-4-yl)-1-[4-[(4-chlorophenyl)-(1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 71058776

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide (CID 155883276) is N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide is COc1ncc(C2CC(=O)NC(c3cc(CNC(=O)C(C)C)ccc3Cl)N2)s1.
What is the InChIKey of N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is PCUBGFCHVXNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-10(2)18(26)21-8-11-4-5-13(20)12(6-11)17-23-14(7-16(25)24-17)15-9-22-19(27-3)28-15/h4-6,9-10,14,17,23H,7-8H2,1-3H3,(H,21,26)(H,24,25).
What are the key properties of N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 422.94 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-(2-methoxy-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).