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

C14H17N3S — CID 47807742

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NC3CCN(C4CC4)C3)nc2c1
InChIInChI=1S/C14H17N3S/c1-2-4-13-12(3-1)16-14(18-13)15-10-7-8-17(9-10)11-5-6-11/h1-4,10-11H,5-9H2,(H,15,16)
InChIKeyKXAXAJJOFYVLSS-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.94
Rot. Bonds3

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

N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 47807742) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
PubChem CID47807742
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NC3CCN(C4CC4)C3)nc2c1
InChIInChI=1S/C14H17N3S/c1-2-4-13-12(3-1)16-14(18-13)15-10-7-8-17(9-10)11-5-6-11/h1-4,10-11H,5-9H2,(H,15,16)
InChIKeyKXAXAJJOFYVLSS-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-[1-(oxan-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 155800322
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 167960032
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
ethyl (3S)-3-(1,3-benzothiazol-2-ylamino)azepane-1-carboxylate
CID 96578679
N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 62981119
N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 167984914
3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one
CID 71735448
1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
CID 86694233

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine (CID 47807742) is N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine is c1ccc2sc(NC3CCN(C4CC4)C3)nc2c1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is KXAXAJJOFYVLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-4-13-12(3-1)16-14(18-13)15-10-7-8-17(9-10)11-5-6-11/h1-4,10-11H,5-9H2,(H,15,16).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 47807742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).