4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole

C11H10Cl2N2S — CID 3238733

IUPAC4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESClc1ccc(Cl)c2sc(N3CCCC3)nc12
InChIInChI=1S/C11H10Cl2N2S/c12-7-3-4-8(13)10-9(7)14-11(16-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2
InChIKeyVKVXVSZEJHGECF-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.20
Rot. Bonds1

About 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole

4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole (PubChem CID 3238733) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
PubChem CID3238733
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESClc1ccc(Cl)c2sc(N3CCCC3)nc12
InChIInChI=1S/C11H10Cl2N2S/c12-7-3-4-8(13)10-9(7)14-11(16-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2
InChIKeyVKVXVSZEJHGECF-UHFFFAOYSA-N
XLogP4.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,7-dichlorobenzothiazole
CID 2049891
6-Chloro-2-(piperidin-1-yl)benzo[d]thiazole
CID 2741379
4,7-Dichloro-2-hydrazinylbenzothiazole
CID 2049848
4,6-Dichloro-2-piperidino-1,3-benzothiazole
CID 2739034
4,6-Dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 2739035
4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3238736
4-Chloro-2-piperidin-1-yl-1,3-benzothiazole
CID 3239283
4-(4,7-Dichlorobenzo[d]thiazol-2-yl)morpholine
CID 3240841
4-Chloro-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole
CID 3245029
4-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 13949448
6-Chloro-2-(pyrrolidin-1-yl)benzo[d]thiazole
CID 7110134
4-Chloro-2-piperazin-1-yl-benzothiazole
CID 24072313

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The IUPAC name of 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole (CID 3238733) is 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole is Clc1ccc(Cl)c2sc(N3CCCC3)nc12.
What is the InChIKey of 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The InChIKey is VKVXVSZEJHGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c12-7-3-4-8(13)10-9(7)14-11(16-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2.
What are the key properties of 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole has a molecular weight of 273.19 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-pyrrolidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 3238733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).