2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride

C15H18ClN5S2 — CID 154908241

IUPAC2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride
SMILESCl.Cn1c(Sc2nc3ccccc3s2)nnc1C1CCNCC1
InChIInChI=1S/C15H17N5S2.ClH/c1-20-13(10-6-8-16-9-7-10)18-19-14(20)22-15-17-11-4-2-3-5-12(11)21-15;/h2-5,10,16H,6-9H2,1H3;1H
InChIKeyGCSNMHYIYDAOGE-UHFFFAOYSA-N
MW367.93 g/mol
LogP3.46
Rot. Bonds3

About 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride

2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride (PubChem CID 154908241) has the molecular formula C15H18ClN5S2 and a molecular weight of 367.93 g/mol. Its IUPAC name is 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride
PubChem CID154908241
Molecular FormulaC15H18ClN5S2
Molecular Weight367.93 g/mol
Exact Mass367.07
IUPAC Name2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride
SMILESCl.Cn1c(Sc2nc3ccccc3s2)nnc1C1CCNCC1
InChIInChI=1S/C15H17N5S2.ClH/c1-20-13(10-6-8-16-9-7-10)18-19-14(20)22-15-17-11-4-2-3-5-12(11)21-15;/h2-5,10,16H,6-9H2,1H3;1H
InChIKeyGCSNMHYIYDAOGE-UHFFFAOYSA-N
XLogP3.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.93
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride with MolForge

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Related Compounds

2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
CID 18538492
3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 122572178
2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
CID 18707851
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole
CID 43036230
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole;hydrochloride
CID 71637240
N-ethyl-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride
CID 154910611
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole
CID 71637241
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole
CID 62328809
4-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 154906774
N-methyl-4-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine;dihydrochloride
CID 154906794
4-[4-methyl-5-(2-phenylmethoxyethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 121497540
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
CID 18707808

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride (CID 154908241) is 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride is Cl.Cn1c(Sc2nc3ccccc3s2)nnc1C1CCNCC1.
What is the InChIKey of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride?
The InChIKey is GCSNMHYIYDAOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S2.ClH/c1-20-13(10-6-8-16-9-7-10)18-19-14(20)22-15-17-11-4-2-3-5-12(11)21-15;/h2-5,10,16H,6-9H2,1H3;1H.
What are the key properties of 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride?
2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride has a molecular weight of 367.93 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 154908241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).