(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine

C13H14N2S — CID 68574739

IUPAC(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2nccs2)cc1
InChIInChI=1S/C13H14N2S/c1-2-4-10(5-3-1)11-8-12(11)15-9-13-14-6-7-16-13/h1-7,11-12,15H,8-9H2/t11?,12-/m0/s1
InChIKeyMTHGHKJJGSKSCP-KIYNQFGBSA-N
MW230.34 g/mol
LogP2.79
Rot. Bonds4

About (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine

(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine (PubChem CID 68574739) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine
PubChem CID68574739
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2nccs2)cc1
InChIInChI=1S/C13H14N2S/c1-2-4-10(5-3-1)11-8-12(11)15-9-13-14-6-7-16-13/h1-7,11-12,15H,8-9H2/t11?,12-/m0/s1
InChIKeyMTHGHKJJGSKSCP-KIYNQFGBSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine (CID 68574739) is (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine is c1ccc(C2C[C@@H]2NCc2nccs2)cc1.
What is the InChIKey of (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is MTHGHKJJGSKSCP-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-4-10(5-3-1)11-8-12(11)15-9-13-14-6-7-16-13/h1-7,11-12,15H,8-9H2/t11?,12-/m0/s1.
What are the key properties of (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine?
(1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 230.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 68574739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).