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

C17H29N3S — CID 82430768

IUPACN-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(CCN2CCC(C)CC2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-3-15-16(12-18-14-4-5-14)21-17(19-15)8-11-20-9-6-13(2)7-10-20/h13-14,18H,3-12H2,1-2H3
InChIKeyTZRJIIGURXWRPP-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.23
Rot. Bonds7

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

N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82430768) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82430768
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(CCN2CCC(C)CC2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-3-15-16(12-18-14-4-5-14)21-17(19-15)8-11-20-9-6-13(2)7-10-20/h13-14,18H,3-12H2,1-2H3
InChIKeyTZRJIIGURXWRPP-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82430768) is N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(CCN2CCC(C)CC2)sc1CNC1CC1.
What is the InChIKey of N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is TZRJIIGURXWRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-3-15-16(12-18-14-4-5-14)21-17(19-15)8-11-20-9-6-13(2)7-10-20/h13-14,18H,3-12H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 307.51 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82430768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).