4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide

C20H27N5O3S2 — CID 43056186

IUPAC4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC1
InChIInChI=1S/C20H27N5O3S2/c21-30(27,28)25-8-6-17(7-9-25)20(26)24-12-10-23(11-13-24)14-18-15-29-19(22-18)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H2,21,27,28)
InChIKeyCCNMIHYUEOSMNO-UHFFFAOYSA-N
MW449.60 g/mol
LogP1.37
Rot. Bonds5

About 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide

4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide (PubChem CID 43056186) has the molecular formula C20H27N5O3S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide
PubChem CID43056186
Molecular FormulaC20H27N5O3S2
Molecular Weight449.60 g/mol
Exact Mass449.16
IUPAC Name4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC1
InChIInChI=1S/C20H27N5O3S2/c21-30(27,28)25-8-6-17(7-9-25)20(26)24-12-10-23(11-13-24)14-18-15-29-19(22-18)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H2,21,27,28)
InChIKeyCCNMIHYUEOSMNO-UHFFFAOYSA-N
XLogP1.37
TPSA99.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
3-amino-2-methyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502707
4-amino-3-methoxy-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 120595004
4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
(2,2-dichloro-1-methylcyclopropyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 43045614
[(3S,4S)-4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 139014319
1-[4-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 26068647
(3-methylthiophen-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30214352

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide?
The IUPAC name of 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide (CID 43056186) is 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)CC1.
What is the InChIKey of 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide?
The InChIKey is CCNMIHYUEOSMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S2/c21-30(27,28)25-8-6-17(7-9-25)20(26)24-12-10-23(11-13-24)14-18-15-29-19(22-18)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H2,21,27,28).
What are the key properties of 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide?
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide has a molecular weight of 449.60 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43056186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).