N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine

C12H14N2OS — CID 78908969

IUPACN-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC3CC3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-2-15-9-5-6-10-11(7-9)16-12(14-10)13-8-3-4-8/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyIBCSZGFXWPCTGX-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.27
Rot. Bonds4

About N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine

N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine (PubChem CID 78908969) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
PubChem CID78908969
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC3CC3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-2-15-9-5-6-10-11(7-9)16-12(14-10)13-8-3-4-8/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyIBCSZGFXWPCTGX-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79516069
N-(1,1-dioxothiolan-3-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79518186
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 8674496
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea
CID 3458373
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine (CID 78908969) is N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NC3CC3)sc2c1.
What is the InChIKey of N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine?
The InChIKey is IBCSZGFXWPCTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-15-9-5-6-10-11(7-9)16-12(14-10)13-8-3-4-8/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine?
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).