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

C17H23N3O3S2 — CID 23961498

IUPAC4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C(C)C
InChIInChI=1S/C17H23N3O3S2/c1-13(2)20-14(3)12-24-17(20)18-15-4-6-16(7-5-15)25(21,22)19-8-10-23-11-9-19/h4-7,12-13H,8-11H2,1-3H3/b18-17-
InChIKeyVXBWRCFPLHRVDW-ZCXUNETKSA-N
MW381.52 g/mol
LogP2.69
Rot. Bonds4

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

4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23961498) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
PubChem CID23961498
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C(C)C
InChIInChI=1S/C17H23N3O3S2/c1-13(2)20-14(3)12-24-17(20)18-15-4-6-16(7-5-15)25(21,22)19-8-10-23-11-9-19/h4-7,12-13H,8-11H2,1-3H3/b18-17-
InChIKeyVXBWRCFPLHRVDW-ZCXUNETKSA-N
XLogP2.69
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.69
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

3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23935571
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23800397
4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
CID 23769973
4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine
CID 23826839
3-ethyl-N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813136
N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-3-pentan-2-yl-1,3-thiazol-2-imine
CID 23881931
N,3-bis(4-methoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812771
4-(1-benzofuran-2-yl)-3-(1-methoxypropan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 4003578
3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23761600
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(4-bromophenyl)-3-(cyclohexylideneamino)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23820462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine (CID 23961498) is 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C(C)C.
What is the InChIKey of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is VXBWRCFPLHRVDW-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-13(2)20-14(3)12-24-17(20)18-15-4-6-16(7-5-15)25(21,22)19-8-10-23-11-9-19/h4-7,12-13H,8-11H2,1-3H3/b18-17-.
What are the key properties of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine?
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 381.52 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23961498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).