N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C20H21N5O2S2 — CID 139907938

IUPACN-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(N3CCN(C)C(c4ccccc4)C3=O)n2)s1
InChIInChI=1S/C20H21N5O2S2/c1-12-17(29-19(21-12)22-13(2)26)15-11-28-20(23-15)25-10-9-24(3)16(18(25)27)14-7-5-4-6-8-14/h4-8,11,16H,9-10H2,1-3H3,(H,21,22,26)
InChIKeyJEPKFAZUHWUNLA-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.55
Rot. Bonds4

About N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139907938) has the molecular formula C20H21N5O2S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID139907938
Molecular FormulaC20H21N5O2S2
Molecular Weight427.56 g/mol
Exact Mass427.11
IUPAC NameN-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(N3CCN(C)C(c4ccccc4)C3=O)n2)s1
InChIInChI=1S/C20H21N5O2S2/c1-12-17(29-19(21-12)22-13(2)26)15-11-28-20(23-15)25-10-9-24(3)16(18(25)27)14-7-5-4-6-8-14/h4-8,11,16H,9-10H2,1-3H3,(H,21,22,26)
InChIKeyJEPKFAZUHWUNLA-UHFFFAOYSA-N
XLogP3.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
CID 3329207
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium bromide
CID 18527007
4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazole-2-carbonyl]amino]benzoic acid
CID 11989643
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
N-[4-methyl-5-[2-(piperidine-1-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 141164048
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 91472583
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium
CID 3341375
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide
CID 11989642
N-[(5R)-7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide
CID 714175
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 139907938) is N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(N3CCN(C)C(c4ccccc4)C3=O)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JEPKFAZUHWUNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S2/c1-12-17(29-19(21-12)22-13(2)26)15-11-28-20(23-15)25-10-9-24(3)16(18(25)27)14-7-5-4-6-8-14/h4-8,11,16H,9-10H2,1-3H3,(H,21,22,26).
What are the key properties of N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 427.56 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(4-methyl-2-oxo-3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139907938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).