N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C10H14N2S — CID 4584055

IUPACN-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC=CCNc1nc2c(s1)CCCC2
InChIInChI=1S/C10H14N2S/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2H,1,3-7H2,(H,11,12)
InChIKeyKDHVJBSMFAZRHD-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.62
Rot. Bonds3

About N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 4584055) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID4584055
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC=CCNc1nc2c(s1)CCCC2
InChIInChI=1S/C10H14N2S/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2H,1,3-7H2,(H,11,12)
InChIKeyKDHVJBSMFAZRHD-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 4584055) is N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is C=CCNc1nc2c(s1)CCCC2.
What is the InChIKey of N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is KDHVJBSMFAZRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2H,1,3-7H2,(H,11,12).
What are the key properties of N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 194.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 4584055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).