N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine

C17H31N3S — CID 82433326

IUPACN-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCCc1nc(N2CCCCC2C)sc1CNC(C)CC
InChIInChI=1S/C17H31N3S/c1-5-9-15-16(12-18-13(3)6-2)21-17(19-15)20-11-8-7-10-14(20)4/h13-14,18H,5-12H2,1-4H3
InChIKeyHNSWIZKFPXROQX-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.36
Rot. Bonds7

About N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine

N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine (PubChem CID 82433326) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
PubChem CID82433326
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCCc1nc(N2CCCCC2C)sc1CNC(C)CC
InChIInChI=1S/C17H31N3S/c1-5-9-15-16(12-18-13(3)6-2)21-17(19-15)20-11-8-7-10-14(20)4/h13-14,18H,5-12H2,1-4H3
InChIKeyHNSWIZKFPXROQX-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine (CID 82433326) is N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine is CCCc1nc(N2CCCCC2C)sc1CNC(C)CC.
What is the InChIKey of N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine?
The InChIKey is HNSWIZKFPXROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-9-15-16(12-18-13(3)6-2)21-17(19-15)20-11-8-7-10-14(20)4/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine?
N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 82433326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).