4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine

C24H26N4O2S2 — CID 4659241

IUPAC4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1)N1CCCCCC1
InChIInChI=1S/C24H26N4O2S2/c29-32(30,28-17-6-1-2-7-18-28)22-14-12-21(13-15-22)23-19-31-24(26-23)27-25-16-8-11-20-9-4-3-5-10-20/h3-5,8-16,19H,1-2,6-7,17-18H2,(H,26,27)
InChIKeyNWLAEZSIPMJQOZ-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.49
Rot. Bonds7

About 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine

4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine (PubChem CID 4659241) has the molecular formula C24H26N4O2S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine
PubChem CID4659241
Molecular FormulaC24H26N4O2S2
Molecular Weight466.63 g/mol
Exact Mass466.15
IUPAC Name4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1)N1CCCCCC1
InChIInChI=1S/C24H26N4O2S2/c29-32(30,28-17-6-1-2-7-18-28)22-14-12-21(13-15-22)23-19-31-24(26-23)27-25-16-8-11-20-9-4-3-5-10-20/h3-5,8-16,19H,1-2,6-7,17-18H2,(H,26,27)
InChIKeyNWLAEZSIPMJQOZ-UHFFFAOYSA-N
XLogP5.49
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine 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

4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 5230382
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276598
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230092
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276688
N-[(4-propan-2-ylphenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230376
4-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-N-[(Z)-(3-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6048757
N-[(3-chlorophenyl)methylideneamino]-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701481
2-methoxy-4-[(E)-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135585610
4-[3-(azepan-1-ylsulfonyl)phenyl]-N-[(4-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4701555
N-(3,4-dichlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2852816
N-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8961871
3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701511

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine (CID 4659241) is 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine is O=S(=O)(c1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1)N1CCCCCC1.
What is the InChIKey of 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine?
The InChIKey is NWLAEZSIPMJQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S2/c29-32(30,28-17-6-1-2-7-18-28)22-14-12-21(13-15-22)23-19-31-24(26-23)27-25-16-8-11-20-9-4-3-5-10-20/h3-5,8-16,19H,1-2,6-7,17-18H2,(H,26,27).
What are the key properties of 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine?
4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine has a molecular weight of 466.63 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 4659241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).