N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

C16H18N2S — CID 79982575

IUPACN-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESc1ccc(C(NC2CC2)c2nccs2)c(C2CC2)c1
InChIInChI=1S/C16H18N2S/c1-2-4-14(13(3-1)11-5-6-11)15(18-12-7-8-12)16-17-9-10-19-16/h1-4,9-12,15,18H,5-8H2
InChIKeyFCNCIOZODLSNBP-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.86
Rot. Bonds5

About N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 79982575) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID79982575
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESc1ccc(C(NC2CC2)c2nccs2)c(C2CC2)c1
InChIInChI=1S/C16H18N2S/c1-2-4-14(13(3-1)11-5-6-11)15(18-12-7-8-12)16-17-9-10-19-16/h1-4,9-12,15,18H,5-8H2
InChIKeyFCNCIOZODLSNBP-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 79982575) is N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is c1ccc(C(NC2CC2)c2nccs2)c(C2CC2)c1.
What is the InChIKey of N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is FCNCIOZODLSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-4-14(13(3-1)11-5-6-11)15(18-12-7-8-12)16-17-9-10-19-16/h1-4,9-12,15,18H,5-8H2.
What are the key properties of N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 270.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79982575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).