4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine

C19H20N4O2S3 — CID 5230382

IUPAC4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(NN=Cc3cccs3)n2)cc1)N1CCCCC1
InChIInChI=1S/C19H20N4O2S3/c24-28(25,23-10-2-1-3-11-23)17-8-6-15(7-9-17)18-14-27-19(21-18)22-20-13-16-5-4-12-26-16/h4-9,12-14H,1-3,10-11H2,(H,21,22)
InChIKeyQYCHRZZEYSTEOW-UHFFFAOYSA-N
MW432.60 g/mol
LogP4.49
Rot. Bonds6

About 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine

4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine (PubChem CID 5230382) has the molecular formula C19H20N4O2S3 and a molecular weight of 432.60 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
PubChem CID5230382
Molecular FormulaC19H20N4O2S3
Molecular Weight432.60 g/mol
Exact Mass432.07
IUPAC Name4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(NN=Cc3cccs3)n2)cc1)N1CCCCC1
InChIInChI=1S/C19H20N4O2S3/c24-28(25,23-10-2-1-3-11-23)17-8-6-15(7-9-17)18-14-27-19(21-18)22-20-13-16-5-4-12-26-16/h4-9,12-14H,1-3,10-11H2,(H,21,22)
InChIKeyQYCHRZZEYSTEOW-UHFFFAOYSA-N
XLogP4.49
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(Z)-furan-2-ylmethylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276688
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-[(4-propan-2-ylphenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230376
4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine
CID 4659241
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
2-methoxy-4-[(E)-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135585610
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276687
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
2-ethoxy-4-[[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 5231062
N-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8961871

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine (CID 5230382) is 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine is O=S(=O)(c1ccc(-c2csc(NN=Cc3cccs3)n2)cc1)N1CCCCC1.
What is the InChIKey of 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
The InChIKey is QYCHRZZEYSTEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S3/c24-28(25,23-10-2-1-3-11-23)17-8-6-15(7-9-17)18-14-27-19(21-18)22-20-13-16-5-4-12-26-16/h4-9,12-14H,1-3,10-11H2,(H,21,22).
What are the key properties of 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine?
4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine has a molecular weight of 432.60 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 5230382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).