6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine

C15H21N3S — CID 65348376

IUPAC6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCC(C)N(Cc1ccc2nc(N)sc2c1)CC1CC1
InChIInChI=1S/C15H21N3S/c1-10(2)18(8-11-3-4-11)9-12-5-6-13-14(7-12)19-15(16)17-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyGXLUPFQPJKOEEE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.50
Rot. Bonds5

About 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine

6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348376) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
PubChem CID65348376
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCC(C)N(Cc1ccc2nc(N)sc2c1)CC1CC1
InChIInChI=1S/C15H21N3S/c1-10(2)18(8-11-3-4-11)9-12-5-6-13-14(7-12)19-15(16)17-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyGXLUPFQPJKOEEE-UHFFFAOYSA-N
XLogP3.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine (CID 65348376) is 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine is CC(C)N(Cc1ccc2nc(N)sc2c1)CC1CC1.
What is the InChIKey of 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is GXLUPFQPJKOEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10(2)18(8-11-3-4-11)9-12-5-6-13-14(7-12)19-15(16)17-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).