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

C15H27N3S — CID 64539929

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1nc(C)c(CNCCCN2CCC(C)CC2)s1
InChIInChI=1S/C15H27N3S/c1-12-5-9-18(10-6-12)8-4-7-16-11-15-13(2)17-14(3)19-15/h12,16H,4-11H2,1-3H3
InChIKeyJDKOIBXZQBZSIF-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.97
Rot. Bonds6

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 64539929) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID64539929
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1nc(C)c(CNCCCN2CCC(C)CC2)s1
InChIInChI=1S/C15H27N3S/c1-12-5-9-18(10-6-12)8-4-7-16-11-15-13(2)17-14(3)19-15/h12,16H,4-11H2,1-3H3
InChIKeyJDKOIBXZQBZSIF-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 64539929) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is Cc1nc(C)c(CNCCCN2CCC(C)CC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is JDKOIBXZQBZSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12-5-9-18(10-6-12)8-4-7-16-11-15-13(2)17-14(3)19-15/h12,16H,4-11H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 64539929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).