N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C20H23N5O4S3 — CID 90336138

IUPACN-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NCc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)s1
InChIInChI=1S/C20H23N5O4S3/c1-13-18(31-20(22-13)23-14(2)26)17-12-30-19(24-17)21-11-15-4-3-5-16(10-15)32(27,28)25-6-8-29-9-7-25/h3-5,10,12H,6-9,11H2,1-2H3,(H,21,24)(H,22,23,26)
InChIKeyODFDWOHCQNINEQ-UHFFFAOYSA-N
MW493.64 g/mol
LogP3.17
Rot. Bonds7

About N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 90336138) has the molecular formula C20H23N5O4S3 and a molecular weight of 493.64 g/mol. Its IUPAC name is N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID90336138
Molecular FormulaC20H23N5O4S3
Molecular Weight493.64 g/mol
Exact Mass493.09
IUPAC NameN-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NCc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)s1
InChIInChI=1S/C20H23N5O4S3/c1-13-18(31-20(22-13)23-14(2)26)17-12-30-19(24-17)21-11-15-4-3-5-16(10-15)32(27,28)25-6-8-29-9-7-25/h3-5,10,12H,6-9,11H2,1-2H3,(H,21,24)(H,22,23,26)
InChIKeyODFDWOHCQNINEQ-UHFFFAOYSA-N
XLogP3.17
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605012
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17012719
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 23931904
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
N-[(2R)-1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2562086
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
CID 110830453

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 90336138) is N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(NCc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ODFDWOHCQNINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S3/c1-13-18(31-20(22-13)23-14(2)26)17-12-30-19(24-17)21-11-15-4-3-5-16(10-15)32(27,28)25-6-8-29-9-7-25/h3-5,10,12H,6-9,11H2,1-2H3,(H,21,24)(H,22,23,26).
What are the key properties of N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 493.64 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 90336138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).