N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C12H14N2S — CID 63183229

IUPACN-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(C2CSC(NC3CC3)=N2)cc1
InChIInChI=1S/C12H14N2S/c1-2-4-9(5-3-1)11-8-15-12(14-11)13-10-6-7-10/h1-5,10-11H,6-8H2,(H,13,14)
InChIKeyIOOGAUBCRWCXOS-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.58
Rot. Bonds2

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

N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63183229) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63183229
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC NameN-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(C2CSC(NC3CC3)=N2)cc1
InChIInChI=1S/C12H14N2S/c1-2-4-9(5-3-1)11-8-15-12(14-11)13-10-6-7-10/h1-5,10-11H,6-8H2,(H,13,14)
InChIKeyIOOGAUBCRWCXOS-UHFFFAOYSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63183229) is N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(C2CSC(NC3CC3)=N2)cc1.
What is the InChIKey of N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IOOGAUBCRWCXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-4-9(5-3-1)11-8-15-12(14-11)13-10-6-7-10/h1-5,10-11H,6-8H2,(H,13,14).
What are the key properties of N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63183229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).