N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine

C15H19N3S — CID 133347839

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCC1CC(Nc2nc3ccccc3s2)CN1C1CC1
InChIInChI=1S/C15H19N3S/c1-10-8-11(9-18(10)12-6-7-12)16-15-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,16,17)
InChIKeyMQTQSNSGNRQIMN-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.33
Rot. Bonds3

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 133347839) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
PubChem CID133347839
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCC1CC(Nc2nc3ccccc3s2)CN1C1CC1
InChIInChI=1S/C15H19N3S/c1-10-8-11(9-18(10)12-6-7-12)16-15-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,16,17)
InChIKeyMQTQSNSGNRQIMN-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
CID 123863996
1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
CID 86694233
3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one
CID 71735448
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine
CID 154866858
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)quinolin-5-amine
CID 115928349
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 167960032
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine (CID 133347839) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine is CC1CC(Nc2nc3ccccc3s2)CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MQTQSNSGNRQIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-8-11(9-18(10)12-6-7-12)16-15-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,16,17).
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 133347839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).