N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine

C15H20N2S — CID 123863996

IUPACN-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
SMILESCCC(C)C1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C15H20N2S/c1-3-10(2)11-8-12(9-11)16-15-17-13-6-4-5-7-14(13)18-15/h4-7,10-12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyXJGURGIRHUPYAW-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.53
Rot. Bonds4

About N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine

N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine (PubChem CID 123863996) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
PubChem CID123863996
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
SMILESCCC(C)C1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C15H20N2S/c1-3-10(2)11-8-12(9-11)16-15-17-13-6-4-5-7-14(13)18-15/h4-7,10-12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyXJGURGIRHUPYAW-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
CID 86694233
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177
N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
CID 43372307
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-[3-(2,2-dioxo-1-propan-2-yl-[1,2,5]thiadiazolo[3,4-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
CID 154077982
4-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1H-pyrimidine-4,5-diamine
CID 172724861

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine (CID 123863996) is N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine is CCC(C)C1CC(Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine?
The InChIKey is XJGURGIRHUPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-10(2)11-8-12(9-11)16-15-17-13-6-4-5-7-14(13)18-15/h4-7,10-12H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine?
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 123863996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).