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

C17H27N3S — CID 63916771

IUPACN-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCC1CCCN(c2nc(C3CC3)c(CNC3CC3)s2)C1
InChIInChI=1S/C17H27N3S/c1-2-12-4-3-9-20(11-12)17-19-16(13-5-6-13)15(21-17)10-18-14-7-8-14/h12-14,18H,2-11H2,1H3
InChIKeyLQVGEUBCFMBTIM-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.90
Rot. Bonds6

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

N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 63916771) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID63916771
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCC1CCCN(c2nc(C3CC3)c(CNC3CC3)s2)C1
InChIInChI=1S/C17H27N3S/c1-2-12-4-3-9-20(11-12)17-19-16(13-5-6-13)15(21-17)10-18-14-7-8-14/h12-14,18H,2-11H2,1H3
InChIKeyLQVGEUBCFMBTIM-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63917230
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79178304
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 115562445
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916943
1-[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 55117606
N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102968538
N-[[4-cyclopropyl-2-(4-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916226
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767596
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82438000
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79395879

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 63916771) is N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCC1CCCN(c2nc(C3CC3)c(CNC3CC3)s2)C1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is LQVGEUBCFMBTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-2-12-4-3-9-20(11-12)17-19-16(13-5-6-13)15(21-17)10-18-14-7-8-14/h12-14,18H,2-11H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 305.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63916771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).