1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole

C14H16N4S — CID 10038903

IUPAC1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole
SMILESCn1c(N2CCNCC2)nc2sc3ccccc3c21
InChIInChI=1S/C14H16N4S/c1-17-12-10-4-2-3-5-11(10)19-13(12)16-14(17)18-8-6-15-7-9-18/h2-5,15H,6-9H2,1H3
InChIKeyMTLGUYJDDUICQR-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.20
Rot. Bonds1

About 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole

1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole (PubChem CID 10038903) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole.

Molecular Properties

Compound Name1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole
PubChem CID10038903
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole
SMILESCn1c(N2CCNCC2)nc2sc3ccccc3c21
InChIInChI=1S/C14H16N4S/c1-17-12-10-4-2-3-5-11(10)19-13(12)16-14(17)18-8-6-15-7-9-18/h2-5,15H,6-9H2,1H3
InChIKeyMTLGUYJDDUICQR-UHFFFAOYSA-N
XLogP2.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-benzyl-[1]benzothiolo[2,3-d]imidazol-2-yl)piperazin-1-yl]propan-2-ol
CID 10409082
7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
CID 84632352
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
2-(1,7-dimethyl-6-oxo-8-piperazin-1-ylpurin-2-yl)sulfanylbenzaldehyde
CID 142839165
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
ethyl 4-[1-[(4-fluorophenyl)methyl]-[1]benzothiolo[2,3-d]imidazol-2-yl]piperazine-1-carboxylate
CID 10478293
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
1-[5-(3-methyl-1-benzothiophen-2-yl)pyrazin-2-yl]-1,4-diazepane
CID 166361552
4,6,7-tribromo-1,5-dimethyl-2-piperazin-1-ylbenzimidazole
CID 123673392
3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163546
1-(1-benzothiophen-3-yl)piperazine;hydrochloride
CID 57425075
3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one
CID 10336576

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole?
The IUPAC name of 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole (CID 10038903) is 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole.
What is the SMILES notation for 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole?
The canonical SMILES for 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole is Cn1c(N2CCNCC2)nc2sc3ccccc3c21.
What is the InChIKey of 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole?
The InChIKey is MTLGUYJDDUICQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-17-12-10-4-2-3-5-11(10)19-13(12)16-14(17)18-8-6-15-7-9-18/h2-5,15H,6-9H2,1H3.
What are the key properties of 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole?
1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole has a molecular weight of 272.38 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole is sourced from PubChem (CID 10038903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).