N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C16H18N2S — CID 79980823

IUPACN-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1cc(C2CC2)ccc1-c1nc(CNC2CC2)cs1
InChIInChI=1S/C16H18N2S/c1-2-11(1)12-3-5-13(6-4-12)16-18-15(10-19-16)9-17-14-7-8-14/h3-6,10-11,14,17H,1-2,7-9H2
InChIKeyGSYIKRKLXVNFMB-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.94
Rot. Bonds5

About N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 79980823) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID79980823
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1cc(C2CC2)ccc1-c1nc(CNC2CC2)cs1
InChIInChI=1S/C16H18N2S/c1-2-11(1)12-3-5-13(6-4-12)16-18-15(10-19-16)9-17-14-7-8-14/h3-6,10-11,14,17H,1-2,7-9H2
InChIKeyGSYIKRKLXVNFMB-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 79980823) is N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is c1cc(C2CC2)ccc1-c1nc(CNC2CC2)cs1.
What is the InChIKey of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is GSYIKRKLXVNFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-11(1)12-3-5-13(6-4-12)16-18-15(10-19-16)9-17-14-7-8-14/h3-6,10-11,14,17H,1-2,7-9H2.
What are the key properties of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 270.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79980823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).