N-benzyl-4,5-dihydro-1,3-thiazol-2-amine

C10H12N2S — CID 2339337

IUPACN-benzyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CNC2=NCCS2)cc1
InChIInChI=1S/C10H12N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-5H,6-8H2,(H,11,12)
InChIKeyGANOLKRMSPPWQJ-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.88
Rot. Bonds2

About N-benzyl-4,5-dihydro-1,3-thiazol-2-amine

N-benzyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2339337) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N-benzyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2339337
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN-benzyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CNC2=NCCS2)cc1
InChIInChI=1S/C10H12N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-5H,6-8H2,(H,11,12)
InChIKeyGANOLKRMSPPWQJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4,5-dihydro-1,3-thiazol-2-amine (CID 2339337) is N-benzyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(CNC2=NCCS2)cc1.
What is the InChIKey of N-benzyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GANOLKRMSPPWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-5H,6-8H2,(H,11,12).
What are the key properties of N-benzyl-4,5-dihydro-1,3-thiazol-2-amine?
N-benzyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 192.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2339337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).