N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline

C18H26N4S — CID 71865507

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline
SMILESCc1nc(C)c(CNc2cccc(CN3CCN(C)CC3)c2)s1
InChIInChI=1S/C18H26N4S/c1-14-18(23-15(2)20-14)12-19-17-6-4-5-16(11-17)13-22-9-7-21(3)8-10-22/h4-6,11,19H,7-10,12-13H2,1-3H3
InChIKeyXQTAKWUOPNNPQM-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.12
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline (PubChem CID 71865507) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline
PubChem CID71865507
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline
SMILESCc1nc(C)c(CNc2cccc(CN3CCN(C)CC3)c2)s1
InChIInChI=1S/C18H26N4S/c1-14-18(23-15(2)20-14)12-19-17-6-4-5-16(11-17)13-22-9-7-21(3)8-10-22/h4-6,11,19H,7-10,12-13H2,1-3H3
InChIKeyXQTAKWUOPNNPQM-UHFFFAOYSA-N
XLogP3.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115743149
N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
2-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119902608
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
CID 65439905
N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide
CID 88503878
N-[(5-chlorothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43435775
N-[(5-bromothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691850
3-(1-benzothiophen-2-yl)-2-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 90388067
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11717857
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline (CID 71865507) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline is Cc1nc(C)c(CNc2cccc(CN3CCN(C)CC3)c2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline?
The InChIKey is XQTAKWUOPNNPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-14-18(23-15(2)20-14)12-19-17-6-4-5-16(11-17)13-22-9-7-21(3)8-10-22/h4-6,11,19H,7-10,12-13H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline has a molecular weight of 330.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]aniline is sourced from PubChem (CID 71865507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).