N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

C15H19N3S2 — CID 62981119

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NC3CCN(C4CC4)C3)cc2s1
InChIInChI=1S/C15H19N3S2/c1-19-15-17-13-5-2-10(8-14(13)20-15)16-11-6-7-18(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9H2,1H3
InChIKeyNTBFPSQUVJXTIJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.67
Rot. Bonds4

About N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 62981119) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID62981119
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NC3CCN(C4CC4)C3)cc2s1
InChIInChI=1S/C15H19N3S2/c1-19-15-17-13-5-2-10(8-14(13)20-15)16-11-6-7-18(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9H2,1H3
InChIKeyNTBFPSQUVJXTIJ-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (CID 62981119) is N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is CSc1nc2ccc(NC3CCN(C4CC4)C3)cc2s1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is NTBFPSQUVJXTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-19-15-17-13-5-2-10(8-14(13)20-15)16-11-6-7-18(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9H2,1H3.
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 305.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 62981119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).