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

C16H19ClN2S — CID 47053893

IUPACN-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nc(CN(Cc2ccc(Cl)cc2)C2CC2)cs1
InChIInChI=1S/C16H19ClN2S/c1-2-16-18-14(11-20-16)10-19(15-7-8-15)9-12-3-5-13(17)6-4-12/h3-6,11,15H,2,7-10H2,1H3
InChIKeyHSWFYANPZPJCFP-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.52
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine (PubChem CID 47053893) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
PubChem CID47053893
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nc(CN(Cc2ccc(Cl)cc2)C2CC2)cs1
InChIInChI=1S/C16H19ClN2S/c1-2-16-18-14(11-20-16)10-19(15-7-8-15)9-12-3-5-13(17)6-4-12/h3-6,11,15H,2,7-10H2,1H3
InChIKeyHSWFYANPZPJCFP-UHFFFAOYSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine (CID 47053893) is N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine is CCc1nc(CN(Cc2ccc(Cl)cc2)C2CC2)cs1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The InChIKey is HSWFYANPZPJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-2-16-18-14(11-20-16)10-19(15-7-8-15)9-12-3-5-13(17)6-4-12/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine has a molecular weight of 306.86 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 47053893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).