6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole

C12H14N2OS — CID 5205722

IUPAC6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-15-9-4-5-10-11(8-9)16-12(13-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKYRDMSGXPQAQMM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.91
Rot. Bonds2

About 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole

6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole (PubChem CID 5205722) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
PubChem CID5205722
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-15-9-4-5-10-11(8-9)16-12(13-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKYRDMSGXPQAQMM-UHFFFAOYSA-N
XLogP2.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16941566
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6-methoxy-1,3-benzothiazole
CID 154581253
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 121081547
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methoxy-1,3-benzothiazole
CID 23728788
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
(3,5-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538973
6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941570

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole (CID 5205722) is 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole is COc1ccc2nc(N3CCCC3)sc2c1.
What is the InChIKey of 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole?
The InChIKey is KYRDMSGXPQAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-15-9-4-5-10-11(8-9)16-12(13-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole?
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole has a molecular weight of 234.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 5205722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).