2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H24N4S — CID 115415677

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCN1CCN(C)C(Cc2nc3c(s2)C(N)CCC3)C1
InChIInChI=1S/C14H24N4S/c1-17-6-7-18(2)10(9-17)8-13-16-12-5-3-4-11(15)14(12)19-13/h10-11H,3-9,15H2,1-2H3
InChIKeyLBEOOVZGOYHPQA-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.27
Rot. Bonds2

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 115415677) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID115415677
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCN1CCN(C)C(Cc2nc3c(s2)C(N)CCC3)C1
InChIInChI=1S/C14H24N4S/c1-17-6-7-18(2)10(9-17)8-13-16-12-5-3-4-11(15)14(12)19-13/h10-11H,3-9,15H2,1-2H3
InChIKeyLBEOOVZGOYHPQA-UHFFFAOYSA-N
XLogP1.27
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79413175
2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 102928748
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63234871
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 113305395
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362262
2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62751878
N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841600
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 84661798
2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 83062024
2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 20982864
2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750372
2-(4-propylmorpholin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79657410

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 115415677) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CN1CCN(C)C(Cc2nc3c(s2)C(N)CCC3)C1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is LBEOOVZGOYHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-17-6-7-18(2)10(9-17)8-13-16-12-5-3-4-11(15)14(12)19-13/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 280.44 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 115415677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).