3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine

C18H25N3O3S2 — CID 23935571

IUPAC3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESCCC(C)n1c(C)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-4-14(2)21-15(3)13-25-18(21)19-16-5-7-17(8-6-16)26(22,23)20-9-11-24-12-10-20/h5-8,13-14H,4,9-12H2,1-3H3/b19-18-
InChIKeySWVNPBALKWJEAR-HNENSFHCSA-N
MW395.55 g/mol
LogP3.08
Rot. Bonds5

About 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine

3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (PubChem CID 23935571) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
PubChem CID23935571
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESCCC(C)n1c(C)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-4-14(2)21-15(3)13-25-18(21)19-16-5-7-17(8-6-16)26(22,23)20-9-11-24-12-10-20/h5-8,13-14H,4,9-12H2,1-3H3/b19-18-
InChIKeySWVNPBALKWJEAR-HNENSFHCSA-N
XLogP3.08
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
CID 23961498
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23800397
4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine
CID 23826839
N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-3-pentan-2-yl-1,3-thiazol-2-imine
CID 23881931
3-ethyl-N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813136
4-(1-benzofuran-2-yl)-3-(1-methoxypropan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 4003578
4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
CID 23769973
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23761600
3-butyl-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23961566
N,3-bis(4-methoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812771
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (CID 23935571) is 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is CCC(C)n1c(C)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The InChIKey is SWVNPBALKWJEAR-HNENSFHCSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-4-14(2)21-15(3)13-25-18(21)19-16-5-7-17(8-6-16)26(22,23)20-9-11-24-12-10-20/h5-8,13-14H,4,9-12H2,1-3H3/b19-18-.
What are the key properties of 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine has a molecular weight of 395.55 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23935571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).