N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine

C12H15N3S — CID 116965021

IUPACN-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNCCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-13-6-3-5-12-15-11(9-16-12)10-4-2-7-14-8-10/h2,4,7-9,13H,3,5-6H2,1H3
InChIKeyYKXMASRTSJDIPS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.36
Rot. Bonds5

About N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine

N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 116965021) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID116965021
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNCCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-13-6-3-5-12-15-11(9-16-12)10-4-2-7-14-8-10/h2,4,7-9,13H,3,5-6H2,1H3
InChIKeyYKXMASRTSJDIPS-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.36
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-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine (CID 116965021) is N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine is CNCCCc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is YKXMASRTSJDIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-13-6-3-5-12-15-11(9-16-12)10-4-2-7-14-8-10/h2,4,7-9,13H,3,5-6H2,1H3.
What are the key properties of N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine?
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 233.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 116965021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).