N-butan-2-yl-1,3-benzothiazol-2-amine

C11H14N2S — CID 591708

IUPACN-butan-2-yl-1,3-benzothiazol-2-amine
SMILESCCC(C)Nc1nc2ccccc2s1
InChIInChI=1S/C11H14N2S/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyNIQUVXGLIIIHKS-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.51
Rot. Bonds3

About N-butan-2-yl-1,3-benzothiazol-2-amine

N-butan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 591708) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-butan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-1,3-benzothiazol-2-amine
PubChem CID591708
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-butan-2-yl-1,3-benzothiazol-2-amine
SMILESCCC(C)Nc1nc2ccccc2s1
InChIInChI=1S/C11H14N2S/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3,(H,12,13)
InChIKeyNIQUVXGLIIIHKS-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
CID 43372307
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
2-(1,3-benzothiazol-2-ylamino)-3-methylbutan-1-ol
CID 79246244
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-pentan-3-ylpropanamide
CID 8849998
N-(1,3-benzothiazol-2-ylsulfanyl)butan-2-amine
CID 21196958
methyl (2S)-2-(1,3-benzothiazol-2-ylamino)propanoate
CID 6991162
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
3-(1,3-benzothiazol-2-ylamino)-1-phenylbutan-2-ol
CID 133400238
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
CID 123863996
(1R)-1-(1,3-benzothiazol-2-ylamino)-2,2,2-trichloroethanol
CID 779271
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-butan-2-yl-1,3-benzothiazol-2-amine (CID 591708) is N-butan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-butan-2-yl-1,3-benzothiazol-2-amine is CCC(C)Nc1nc2ccccc2s1.
What is the InChIKey of N-butan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is NIQUVXGLIIIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-1,3-benzothiazol-2-amine?
N-butan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 591708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).