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

C19H27N3O3S2 — CID 23800397

IUPAC4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CCC(C)C
InChIInChI=1S/C19H27N3O3S2/c1-15(2)8-9-22-16(3)14-26-19(22)20-17-4-6-18(7-5-17)27(23,24)21-10-12-25-13-11-21/h4-7,14-15H,8-13H2,1-3H3/b20-19-
InChIKeySAYKBDZYAIBOCN-VXPUYCOJSA-N
MW409.58 g/mol
LogP3.16
Rot. Bonds6

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

4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (PubChem CID 23800397) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
PubChem CID23800397
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC Name4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CCC(C)C
InChIInChI=1S/C19H27N3O3S2/c1-15(2)8-9-22-16(3)14-26-19(22)20-17-4-6-18(7-5-17)27(23,24)21-10-12-25-13-11-21/h4-7,14-15H,8-13H2,1-3H3/b20-19-
InChIKeySAYKBDZYAIBOCN-VXPUYCOJSA-N
XLogP3.16
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.16
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
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-methylphenyl)-1,3-thiazol-2-imine
CID 56972571
3-ethyl-N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813136
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
CID 56972563
3-butyl-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23961566
4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23912501
2-[2-(4-methoxyphenyl)imino-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-3-yl]ethanol
CID 3665554
N-(4-ethoxyphenyl)-3-(2-methoxyethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813008
N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-3-pentan-2-yl-1,3-thiazol-2-imine
CID 23881931
4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
CID 23769973

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (CID 23800397) is 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CCC(C)C.
What is the InChIKey of 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The InChIKey is SAYKBDZYAIBOCN-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-15(2)8-9-22-16(3)14-26-19(22)20-17-4-6-18(7-5-17)27(23,24)21-10-12-25-13-11-21/h4-7,14-15H,8-13H2,1-3H3/b20-19-.
What are the key properties of 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine has a molecular weight of 409.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23800397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).