(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride

C13H18Cl2N4OS — CID 75366132

IUPAC(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)c2ccc3nc(N)sc3c2)CC1.Cl.Cl
InChIInChI=1S/C13H16N4OS.2ClH/c1-16-4-6-17(7-5-16)12(18)9-2-3-10-11(8-9)19-13(14)15-10;;/h2-3,8H,4-7H2,1H3,(H2,14,15);2*1H
InChIKeyJQDISSMCKURZFT-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.11
Rot. Bonds1

About (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride

(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 75366132) has the molecular formula C13H18Cl2N4OS and a molecular weight of 349.29 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID75366132
Molecular FormulaC13H18Cl2N4OS
Molecular Weight349.29 g/mol
Exact Mass348.06
IUPAC Name(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)c2ccc3nc(N)sc3c2)CC1.Cl.Cl
InChIInChI=1S/C13H16N4OS.2ClH/c1-16-4-6-17(7-5-16)12(18)9-2-3-10-11(8-9)19-13(14)15-10;;/h2-3,8H,4-7H2,1H3,(H2,14,15);2*1H
InChIKeyJQDISSMCKURZFT-UHFFFAOYSA-N
XLogP2.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 60656782
(2-amino-1,3-benzothiazol-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 65349242
(2-amino-1,3-benzothiazol-6-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 65349015
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180940
(2-amino-1,3-benzothiazol-6-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220608
4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
CID 60636409
1-(2-amino-1,3-benzothiazole-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65349267
(2-amino-1,3-benzothiazol-6-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65349298
prop-2-enyl N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamate
CID 108743817
(2-amino-1,3-benzothiazol-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 43831279
1-acetyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 108743838
1-ethyl-3-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]thiourea
CID 108783383

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride (CID 75366132) is (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride is CN1CCN(C(=O)c2ccc3nc(N)sc3c2)CC1.Cl.Cl.
What is the InChIKey of (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is JQDISSMCKURZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS.2ClH/c1-16-4-6-17(7-5-16)12(18)9-2-3-10-11(8-9)19-13(14)15-10;;/h2-3,8H,4-7H2,1H3,(H2,14,15);2*1H.
What are the key properties of (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 349.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 75366132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).