4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine

C19H24N6O2S2 — CID 87382768

IUPAC4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccn[nH]2)sc1-c1ccc(S(C)(=O)=O)c(N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N6O2S2/c1-13-18(28-19(21-13)22-17-6-7-20-23-17)14-4-5-16(29(3,26)27)15(12-14)25-10-8-24(2)9-11-25/h4-7,12H,8-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyCYMXHLIDGHFFSV-UHFFFAOYSA-N
MW432.58 g/mol
LogP2.74
Rot. Bonds5

About 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine

4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 87382768) has the molecular formula C19H24N6O2S2 and a molecular weight of 432.58 g/mol. Its IUPAC name is 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
PubChem CID87382768
Molecular FormulaC19H24N6O2S2
Molecular Weight432.58 g/mol
Exact Mass432.14
IUPAC Name4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccn[nH]2)sc1-c1ccc(S(C)(=O)=O)c(N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N6O2S2/c1-13-18(28-19(21-13)22-17-6-7-20-23-17)14-4-5-16(29(3,26)27)15(12-14)25-10-8-24(2)9-11-25/h4-7,12H,8-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyCYMXHLIDGHFFSV-UHFFFAOYSA-N
XLogP2.74
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 87382860
N-[5-(3-imidazol-1-yl-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 53429448
1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine
CID 145226299
4-(4-methylpiperazin-1-yl)-3-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-(1H-pyrazol-5-yl)benzamide
CID 88876352
N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 71480200
5-[3-(1H-imidazol-2-yl)-4-methylsulfonylphenyl]-4-methyl-1,3-thiazol-2-amine
CID 87891220
6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 25128353
1-ethyl-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea
CID 86598413
1-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]urea
CID 87292217
1-[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-pyridin-3-ylurea
CID 87061382
N-[5-[1-(2,3-dichlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658442
N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
CID 176658367

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine (CID 87382768) is 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine is Cc1nc(Nc2ccn[nH]2)sc1-c1ccc(S(C)(=O)=O)c(N2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is CYMXHLIDGHFFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S2/c1-13-18(28-19(21-13)22-17-6-7-20-23-17)14-4-5-16(29(3,26)27)15(12-14)25-10-8-24(2)9-11-25/h4-7,12H,8-11H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 432.58 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(4-methylpiperazin-1-yl)-4-methylsulfonylphenyl]-N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87382768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).