N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine

C9H17BN2S — CID 12663619

IUPACN-di(propan-2-yl)boranyl-1,3-thiazol-2-amine
SMILESCC(C)B(Nc1nccs1)C(C)C
InChIInChI=1S/C9H17BN2S/c1-7(2)10(8(3)4)12-9-11-5-6-13-9/h5-8H,1-4H3,(H,11,12)
InChIKeyUDKDUJJZGVCXDZ-UHFFFAOYSA-N
MW196.13 g/mol
LogP3.37
Rot. Bonds4

About N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine

N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine (PubChem CID 12663619) has the molecular formula C9H17BN2S and a molecular weight of 196.13 g/mol. Its IUPAC name is N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-di(propan-2-yl)boranyl-1,3-thiazol-2-amine
PubChem CID12663619
Molecular FormulaC9H17BN2S
Molecular Weight196.13 g/mol
Exact Mass196.12
IUPAC NameN-di(propan-2-yl)boranyl-1,3-thiazol-2-amine
SMILESCC(C)B(Nc1nccs1)C(C)C
InChIInChI=1S/C9H17BN2S/c1-7(2)10(8(3)4)12-9-11-5-6-13-9/h5-8H,1-4H3,(H,11,12)
InChIKeyUDKDUJJZGVCXDZ-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine?
The IUPAC name of N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine (CID 12663619) is N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine?
The canonical SMILES for N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine is CC(C)B(Nc1nccs1)C(C)C.
What is the InChIKey of N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine?
The InChIKey is UDKDUJJZGVCXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BN2S/c1-7(2)10(8(3)4)12-9-11-5-6-13-9/h5-8H,1-4H3,(H,11,12).
What are the key properties of N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine?
N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine has a molecular weight of 196.13 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-di(propan-2-yl)boranyl-1,3-thiazol-2-amine is sourced from PubChem (CID 12663619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).