N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine

C11H14N2S — CID 177169564

IUPACN-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine
SMILESc1cc2c(cc1NCC1CC1)SCN2
InChIInChI=1S/C11H14N2S/c1-2-8(1)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,8,12-13H,1-2,6-7H2
InChIKeyIHRLSHDBHRUTHJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.98
Rot. Bonds3

About N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine

N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine (PubChem CID 177169564) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine
PubChem CID177169564
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine
SMILESc1cc2c(cc1NCC1CC1)SCN2
InChIInChI=1S/C11H14N2S/c1-2-8(1)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,8,12-13H,1-2,6-7H2
InChIKeyIHRLSHDBHRUTHJ-UHFFFAOYSA-N
XLogP2.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine (CID 177169564) is N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine is c1cc2c(cc1NCC1CC1)SCN2.
What is the InChIKey of N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine?
The InChIKey is IHRLSHDBHRUTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-8(1)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,8,12-13H,1-2,6-7H2.
What are the key properties of N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine?
N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine has a molecular weight of 206.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3-dihydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 177169564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).