N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine

C16H26N2S — CID 62632490

IUPACN-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine
SMILESCCc1nc(C(C)(NC2CC2)C2CCCC2)sc1C
InChIInChI=1S/C16H26N2S/c1-4-14-11(2)19-15(17-14)16(3,18-13-9-10-13)12-7-5-6-8-12/h12-13,18H,4-10H2,1-3H3
InChIKeyYZAYYNSAZKHXCQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.17
Rot. Bonds5

About N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine

N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine (PubChem CID 62632490) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine
PubChem CID62632490
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine
SMILESCCc1nc(C(C)(NC2CC2)C2CCCC2)sc1C
InChIInChI=1S/C16H26N2S/c1-4-14-11(2)19-15(17-14)16(3,18-13-9-10-13)12-7-5-6-8-12/h12-13,18H,4-10H2,1-3H3
InChIKeyYZAYYNSAZKHXCQ-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine (CID 62632490) is N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine is CCc1nc(C(C)(NC2CC2)C2CCCC2)sc1C.
What is the InChIKey of N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is YZAYYNSAZKHXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-14-11(2)19-15(17-14)16(3,18-13-9-10-13)12-7-5-6-8-12/h12-13,18H,4-10H2,1-3H3.
What are the key properties of N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine?
N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 278.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 62632490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).