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

C17H29N3S — CID 62764635

IUPACN-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(N2CC(C)CC(C)C2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-4-5-15-16(9-18-14-6-7-14)21-17(19-15)20-10-12(2)8-13(3)11-20/h12-14,18H,4-11H2,1-3H3
InChIKeyGUIFXMDUCOPYAX-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.83
Rot. Bonds6

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

N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 62764635) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID62764635
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(N2CC(C)CC(C)C2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-4-5-15-16(9-18-14-6-7-14)21-17(19-15)20-10-12(2)8-13(3)11-20/h12-14,18H,4-11H2,1-3H3
InChIKeyGUIFXMDUCOPYAX-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 62764635) is N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCCc1nc(N2CC(C)CC(C)C2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is GUIFXMDUCOPYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-4-5-15-16(9-18-14-6-7-14)21-17(19-15)20-10-12(2)8-13(3)11-20/h12-14,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 307.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62764635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).