N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine

C13H17N3S — CID 114146982

IUPACN-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
SMILESNC1CCC(CNc2nc3ccccc3s2)C1
InChIInChI=1S/C13H17N3S/c14-10-6-5-9(7-10)8-15-13-16-11-3-1-2-4-12(11)17-13/h1-4,9-10H,5-8,14H2,(H,15,16)
InChIKeyFMFGALUASRRYMJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.84
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine

N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 114146982) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID114146982
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
SMILESNC1CCC(CNc2nc3ccccc3s2)C1
InChIInChI=1S/C13H17N3S/c14-10-6-5-9(7-10)8-15-13-16-11-3-1-2-4-12(11)17-13/h1-4,9-10H,5-8,14H2,(H,15,16)
InChIKeyFMFGALUASRRYMJ-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 66005217
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416
3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 106119520
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1,3-benzothiazol-2-amine
CID 95326395
1-(1,3-benzothiazol-2-yl)-3-[[(1R,3R)-3-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 27190983
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine
CID 130582361
N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide
CID 133295840

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine (CID 114146982) is N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine is NC1CCC(CNc2nc3ccccc3s2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is FMFGALUASRRYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-10-6-5-9(7-10)8-15-13-16-11-3-1-2-4-12(11)17-13/h1-4,9-10H,5-8,14H2,(H,15,16).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine?
N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114146982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).