3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one

C15H21N5OS — CID 1498040

IUPAC3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one
SMILESCc1ccc(Nc2c(N3CCN(C)CC3)sc(=O)n2N)cc1
InChIInChI=1S/C15H21N5OS/c1-11-3-5-12(6-4-11)17-13-14(22-15(21)20(13)16)19-9-7-18(2)8-10-19/h3-6,17H,7-10,16H2,1-2H3
InChIKeyOZCMDYDHWHVIJD-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.43
Rot. Bonds3

About 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one

3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one (PubChem CID 1498040) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one
PubChem CID1498040
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one
SMILESCc1ccc(Nc2c(N3CCN(C)CC3)sc(=O)n2N)cc1
InChIInChI=1S/C15H21N5OS/c1-11-3-5-12(6-4-11)17-13-14(22-15(21)20(13)16)19-9-7-18(2)8-10-19/h3-6,17H,7-10,16H2,1-2H3
InChIKeyOZCMDYDHWHVIJD-UHFFFAOYSA-N
XLogP1.43
TPSA66.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-1,2,4-triazin-5-one
CID 7541198
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
6-methyl-5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011969
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 30859379
2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113198136
1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
CID 777113
4-methylpiperazin-1-amine;toluene
CID 175395839
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107
3-ethyl-2-(4-methylanilino)thieno[3,2-d]pyrimidin-4-one
CID 118724080

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one?
The IUPAC name of 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one (CID 1498040) is 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one is Cc1ccc(Nc2c(N3CCN(C)CC3)sc(=O)n2N)cc1.
What is the InChIKey of 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one?
The InChIKey is OZCMDYDHWHVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-3-5-12(6-4-11)17-13-14(22-15(21)20(13)16)19-9-7-18(2)8-10-19/h3-6,17H,7-10,16H2,1-2H3.
What are the key properties of 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one?
3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one has a molecular weight of 319.43 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylanilino)-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 1498040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).