4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine

C12H12N2S — CID 58955597

IUPAC4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine
SMILESNc1nc([C@@H]2C[C@H]2c2ccccc2)cs1
InChIInChI=1S/C12H12N2S/c13-12-14-11(7-15-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H2,13,14)/t9-,10+/m0/s1
InChIKeyWVYKEXOYFMDQFC-VHSXEESVSA-N
MW216.31 g/mol
LogP3.00
Rot. Bonds2

About 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine

4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine (PubChem CID 58955597) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine
PubChem CID58955597
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine
SMILESNc1nc([C@@H]2C[C@H]2c2ccccc2)cs1
InChIInChI=1S/C12H12N2S/c13-12-14-11(7-15-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H2,13,14)/t9-,10+/m0/s1
InChIKeyWVYKEXOYFMDQFC-VHSXEESVSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine (CID 58955597) is 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine is Nc1nc([C@@H]2C[C@H]2c2ccccc2)cs1.
What is the InChIKey of 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine?
The InChIKey is WVYKEXOYFMDQFC-VHSXEESVSA-N. The full InChI is InChI=1S/C12H12N2S/c13-12-14-11(7-15-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H2,13,14)/t9-,10+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine?
4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).