N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine

C20H20ClN3O3S2 — CID 110826546

IUPACN-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(NCc3ccccc3Cl)n2)cc1)N1CCOCC1
InChIInChI=1S/C20H20ClN3O3S2/c21-18-4-2-1-3-16(18)13-22-20-23-19(14-28-20)15-5-7-17(8-6-15)29(25,26)24-9-11-27-12-10-24/h1-8,14H,9-13H2,(H,22,23)
InChIKeyGYXODPBGTFEIDW-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.10
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine

N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 110826546) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID110826546
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(-c2csc(NCc3ccccc3Cl)n2)cc1)N1CCOCC1
InChIInChI=1S/C20H20ClN3O3S2/c21-18-4-2-1-3-16(18)13-22-20-23-19(14-28-20)15-5-7-17(8-6-15)29(25,26)24-9-11-27-12-10-24/h1-8,14H,9-13H2,(H,22,23)
InChIKeyGYXODPBGTFEIDW-UHFFFAOYSA-N
XLogP4.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
N-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 32951440
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
N-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8962774
N-prop-2-enyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8961871
4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
CID 135687417
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276687
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
CID 110830453
(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 16547893

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 110826546) is N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine is O=S(=O)(c1ccc(-c2csc(NCc3ccccc3Cl)n2)cc1)N1CCOCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is GYXODPBGTFEIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c21-18-4-2-1-3-16(18)13-22-20-23-19(14-28-20)15-5-7-17(8-6-15)29(25,26)24-9-11-27-12-10-24/h1-8,14H,9-13H2,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 449.99 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110826546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).