5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride

C16H16ClN3S — CID 141180220

IUPAC5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride
SMILESCl.c1ccc(-c2ccc3nc(C4CCCN4)sc3n2)cc1
InChIInChI=1S/C16H15N3S.ClH/c1-2-5-11(6-3-1)12-8-9-14-16(18-12)20-15(19-14)13-7-4-10-17-13;/h1-3,5-6,8-9,13,17H,4,7,10H2;1H
InChIKeyFUKCVCHMEVNIFF-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.20
Rot. Bonds2

About 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride

5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride (PubChem CID 141180220) has the molecular formula C16H16ClN3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride
PubChem CID141180220
Molecular FormulaC16H16ClN3S
Molecular Weight317.84 g/mol
Exact Mass317.08
IUPAC Name5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride
SMILESCl.c1ccc(-c2ccc3nc(C4CCCN4)sc3n2)cc1
InChIInChI=1S/C16H15N3S.ClH/c1-2-5-11(6-3-1)12-8-9-14-16(18-12)20-15(19-14)13-7-4-10-17-13;/h1-3,5-6,8-9,13,17H,4,7,10H2;1H
InChIKeyFUKCVCHMEVNIFF-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335157
2-pyrrolidin-2-yl-1,3-benzothiazole-6-carboxylic acid
CID 82383424
2-phenyl-4-[(2R)-piperidin-2-yl]quinoline
CID 7144282
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride
CID 154901065
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
5-phenyl-[1,3]thiazolo[5,4-b]pyridine
CID 141167515
2-pyrrolidin-2-yl-4,5-dihydrobenzo[e][1,3]benzothiazole
CID 62541233
6-N-cyclohexyl-2-N-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,6-diamine
CID 88900367
6-chloro-2-piperidin-2-yl-1,3-benzothiazole
CID 79528887

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride?
The IUPAC name of 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride (CID 141180220) is 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride.
What is the SMILES notation for 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride?
The canonical SMILES for 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride is Cl.c1ccc(-c2ccc3nc(C4CCCN4)sc3n2)cc1.
What is the InChIKey of 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride?
The InChIKey is FUKCVCHMEVNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S.ClH/c1-2-5-11(6-3-1)12-8-9-14-16(18-12)20-15(19-14)13-7-4-10-17-13;/h1-3,5-6,8-9,13,17H,4,7,10H2;1H.
What are the key properties of 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride?
5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyrrolidin-2-yl-[1,3]thiazolo[5,4-b]pyridine;hydrochloride is sourced from PubChem (CID 141180220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).