6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine

C14H18ClN3S — CID 79526067

IUPAC6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(CN1CCCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H18ClN3S/c1-10(9-18-6-2-3-7-18)16-14-17-12-5-4-11(15)8-13(12)19-14/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeySFCYYJQRNYPLEE-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.85
Rot. Bonds4

About 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine

6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 79526067) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID79526067
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(CN1CCCC1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H18ClN3S/c1-10(9-18-6-2-3-7-18)16-14-17-12-5-4-11(15)8-13(12)19-14/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeySFCYYJQRNYPLEE-UHFFFAOYSA-N
XLogP3.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine (CID 79526067) is 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine is CC(CN1CCCC1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is SFCYYJQRNYPLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-10(9-18-6-2-3-7-18)16-14-17-12-5-4-11(15)8-13(12)19-14/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79526067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).