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

C14H19N5S2 — CID 64976803

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(N3CCN(c4nccs4)CC3)nc21
InChIInChI=1S/C14H19N5S2/c15-10-2-1-3-11-12(10)17-14(21-11)19-7-5-18(6-8-19)13-16-4-9-20-13/h4,9-10H,1-3,5-8,15H2
InChIKeyQVVBGUBISOIGKM-UHFFFAOYSA-N
MW321.48 g/mol
LogP2.26
Rot. Bonds2

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

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64976803) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64976803
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(N3CCN(c4nccs4)CC3)nc21
InChIInChI=1S/C14H19N5S2/c15-10-2-1-3-11-12(10)17-14(21-11)19-7-5-18(6-8-19)13-16-4-9-20-13/h4,9-10H,1-3,5-8,15H2
InChIKeyQVVBGUBISOIGKM-UHFFFAOYSA-N
XLogP2.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977699
2-(4-tert-butylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977276
2-(1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977300
2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977637
2-(3,4-dimethoxypyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103540256
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one
CID 79643158
4-(4-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methylpiperazin-2-one
CID 64977727
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride
CID 91623902
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64976803) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is NC1CCCc2sc(N3CCN(c4nccs4)CC3)nc21.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is QVVBGUBISOIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c15-10-2-1-3-11-12(10)17-14(21-11)19-7-5-18(6-8-19)13-16-4-9-20-13/h4,9-10H,1-3,5-8,15H2.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 321.48 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64976803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).