N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine

C19H28N4S — CID 133371007

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)C(CNc1nc(-c2ccccc2)cs1)N1CCN(C)CC1
InChIInChI=1S/C19H28N4S/c1-15(2)18(23-11-9-22(3)10-12-23)13-20-19-21-17(14-24-19)16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3,(H,20,21)
InChIKeyUVOADUORVFMDGB-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.49
Rot. Bonds6

About N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133371007) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133371007
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)C(CNc1nc(-c2ccccc2)cs1)N1CCN(C)CC1
InChIInChI=1S/C19H28N4S/c1-15(2)18(23-11-9-22(3)10-12-23)13-20-19-21-17(14-24-19)16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3,(H,20,21)
InChIKeyUVOADUORVFMDGB-UHFFFAOYSA-N
XLogP3.49
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 54455435
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 58910616
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25330725
1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133372946
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine
CID 65416239
1-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 86898935
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine (CID 133371007) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine is CC(C)C(CNc1nc(-c2ccccc2)cs1)N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is UVOADUORVFMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-15(2)18(23-11-9-22(3)10-12-23)13-20-19-21-17(14-24-19)16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3,(H,20,21).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 344.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133371007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).