2-propan-2-yl-1,3-benzothiazol-5-amine

C20H24N4S2 — CID 69263682

IUPAC2-propan-2-yl-1,3-benzothiazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2s1.CC(C)c1nc2cc(N)ccc2s1
InChIInChI=1S/2C10H12N2S/c2*1-6(2)10-12-8-5-7(11)3-4-9(8)13-10/h2*3-6H,11H2,1-2H3
InChIKeyCXNZLQNHXDPBPC-UHFFFAOYSA-N
MW384.57 g/mol
LogP6.00
Rot. Bonds2

About 2-propan-2-yl-1,3-benzothiazol-5-amine

2-propan-2-yl-1,3-benzothiazol-5-amine (PubChem CID 69263682) has the molecular formula C20H24N4S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1,3-benzothiazol-5-amine
PubChem CID69263682
Molecular FormulaC20H24N4S2
Molecular Weight384.57 g/mol
Exact Mass384.14
IUPAC Name2-propan-2-yl-1,3-benzothiazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2s1.CC(C)c1nc2cc(N)ccc2s1
InChIInChI=1S/2C10H12N2S/c2*1-6(2)10-12-8-5-7(11)3-4-9(8)13-10/h2*3-6H,11H2,1-2H3
InChIKeyCXNZLQNHXDPBPC-UHFFFAOYSA-N
XLogP6.00
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-benzothiazol-5-amine?
The IUPAC name of 2-propan-2-yl-1,3-benzothiazol-5-amine (CID 69263682) is 2-propan-2-yl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-propan-2-yl-1,3-benzothiazol-5-amine is CC(C)c1nc2cc(N)ccc2s1.CC(C)c1nc2cc(N)ccc2s1.
What is the InChIKey of 2-propan-2-yl-1,3-benzothiazol-5-amine?
The InChIKey is CXNZLQNHXDPBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2S/c2*1-6(2)10-12-8-5-7(11)3-4-9(8)13-10/h2*3-6H,11H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-benzothiazol-5-amine?
2-propan-2-yl-1,3-benzothiazol-5-amine has a molecular weight of 384.57 g/mol, XLogP of 6.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 69263682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).