N-propan-2-yl-1,2-benzothiazol-5-amine

C10H12N2S — CID 131106528

IUPACN-propan-2-yl-1,2-benzothiazol-5-amine
SMILESCC(C)Nc1ccc2sncc2c1
InChIInChI=1S/C10H12N2S/c1-7(2)12-9-3-4-10-8(5-9)6-11-13-10/h3-7,12H,1-2H3
InChIKeyNEGHNBFAQSPSFZ-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.12
Rot. Bonds2

About N-propan-2-yl-1,2-benzothiazol-5-amine

N-propan-2-yl-1,2-benzothiazol-5-amine (PubChem CID 131106528) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N-propan-2-yl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,2-benzothiazol-5-amine
PubChem CID131106528
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN-propan-2-yl-1,2-benzothiazol-5-amine
SMILESCC(C)Nc1ccc2sncc2c1
InChIInChI=1S/C10H12N2S/c1-7(2)12-9-3-4-10-8(5-9)6-11-13-10/h3-7,12H,1-2H3
InChIKeyNEGHNBFAQSPSFZ-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2-benzothiazol-5-amine?
The IUPAC name of N-propan-2-yl-1,2-benzothiazol-5-amine (CID 131106528) is N-propan-2-yl-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-propan-2-yl-1,2-benzothiazol-5-amine?
The canonical SMILES for N-propan-2-yl-1,2-benzothiazol-5-amine is CC(C)Nc1ccc2sncc2c1.
What is the InChIKey of N-propan-2-yl-1,2-benzothiazol-5-amine?
The InChIKey is NEGHNBFAQSPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7(2)12-9-3-4-10-8(5-9)6-11-13-10/h3-7,12H,1-2H3.
What are the key properties of N-propan-2-yl-1,2-benzothiazol-5-amine?
N-propan-2-yl-1,2-benzothiazol-5-amine has a molecular weight of 192.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 131106528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).