N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

C20H20BrCl2N3O2S2 — CID 163342619

IUPACN-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.O=S(=O)(c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1)N1CCCCC1
InChIInChI=1S/C20H19Cl2N3O2S2.BrH/c21-15-10-16(22)12-17(11-15)23-20-24-19(13-28-20)14-4-6-18(7-5-14)29(26,27)25-8-2-1-3-9-25;/h4-7,10-13H,1-3,8-9H2,(H,23,24);1H
InChIKeyPFOHVJKPNZBMRP-UHFFFAOYSA-N
MW549.34 g/mol
LogP6.61
Rot. Bonds5

About N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 163342619) has the molecular formula C20H20BrCl2N3O2S2 and a molecular weight of 549.34 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID163342619
Molecular FormulaC20H20BrCl2N3O2S2
Molecular Weight549.34 g/mol
Exact Mass546.96
IUPAC NameN-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.O=S(=O)(c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1)N1CCCCC1
InChIInChI=1S/C20H19Cl2N3O2S2.BrH/c21-15-10-16(22)12-17(11-15)23-20-24-19(13-28-20)14-4-6-18(7-5-14)29(26,27)25-8-2-1-3-9-25;/h4-7,10-13H,1-3,8-9H2,(H,23,24);1H
InChIKeyPFOHVJKPNZBMRP-UHFFFAOYSA-N
XLogP6.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.34
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2852816
N-(3,5-dimethylphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 17389324
N-(3,5-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1118677
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
N-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8962774
N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3,5-dichloro-4-methoxybenzamide
CID 18848621
N-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8961871
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 163342619) is N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.O=S(=O)(c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1)N1CCCCC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PFOHVJKPNZBMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S2.BrH/c21-15-10-16(22)12-17(11-15)23-20-24-19(13-28-20)14-4-6-18(7-5-14)29(26,27)25-8-2-1-3-9-25;/h4-7,10-13H,1-3,8-9H2,(H,23,24);1H.
What are the key properties of N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 549.34 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 163342619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).