N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine

C22H23ClN4O2S2 — CID 4701479

IUPACN-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
SMILESCC1CCCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccccc4Cl)n3)c2)C1
InChIInChI=1S/C22H23ClN4O2S2/c1-16-6-5-11-27(14-16)31(28,29)19-9-4-8-17(12-19)21-15-30-22(25-21)26-24-13-18-7-2-3-10-20(18)23/h2-4,7-10,12-13,15-16H,5-6,11,14H2,1H3,(H,25,26)
InChIKeyGOCJCBPWUMBACZ-UHFFFAOYSA-N
MW475.04 g/mol
LogP5.33
Rot. Bonds6

About N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine

N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine (PubChem CID 4701479) has the molecular formula C22H23ClN4O2S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
PubChem CID4701479
Molecular FormulaC22H23ClN4O2S2
Molecular Weight475.04 g/mol
Exact Mass474.10
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
SMILESCC1CCCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccccc4Cl)n3)c2)C1
InChIInChI=1S/C22H23ClN4O2S2/c1-16-6-5-11-27(14-16)31(28,29)19-9-4-8-17(12-19)21-15-30-22(25-21)26-24-13-18-7-2-3-10-20(18)23/h2-4,7-10,12-13,15-16H,5-6,11,14H2,1H3,(H,25,26)
InChIKeyGOCJCBPWUMBACZ-UHFFFAOYSA-N
XLogP5.33
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.33
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'}

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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701476
4-[[[4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 4701593
4-[3-(azepan-1-ylsulfonyl)phenyl]-N-[(4-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4701555
N-[(3-chlorophenyl)methylideneamino]-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701481
N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701488
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine
CID 27571794
2-ethoxy-4-[[[4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1400261
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
4-[[[4-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
CID 4701496
4-[(E)-[[4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135607803
2-ethoxy-4-[[[4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 4701491
4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6854959

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine (CID 4701479) is N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine is CC1CCCN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4ccccc4Cl)n3)c2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
The InChIKey is GOCJCBPWUMBACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S2/c1-16-6-5-11-27(14-16)31(28,29)19-9-4-8-17(12-19)21-15-30-22(25-21)26-24-13-18-7-2-3-10-20(18)23/h2-4,7-10,12-13,15-16H,5-6,11,14H2,1H3,(H,25,26).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine has a molecular weight of 475.04 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4701479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).