N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine

C14H17N3S2 — CID 50960300

IUPACN-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESc1cc(-c2nc(CCNC3CCSC3)cs2)ccn1
InChIInChI=1S/C14H17N3S2/c1-5-15-6-2-11(1)14-17-13(10-19-14)3-7-16-12-4-8-18-9-12/h1-2,5-6,10,12,16H,3-4,7-9H2
InChIKeyUEIDAQNIRDEMJB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine

N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 50960300) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
PubChem CID50960300
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC NameN-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESc1cc(-c2nc(CCNC3CCSC3)cs2)ccn1
InChIInChI=1S/C14H17N3S2/c1-5-15-6-2-11(1)14-17-13(10-19-14)3-7-16-12-4-8-18-9-12/h1-2,5-6,10,12,16H,3-4,7-9H2
InChIKeyUEIDAQNIRDEMJB-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine (CID 50960300) is N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine is c1cc(-c2nc(CCNC3CCSC3)cs2)ccn1.
What is the InChIKey of N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is UEIDAQNIRDEMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-5-15-6-2-11(1)14-17-13(10-19-14)3-7-16-12-4-8-18-9-12/h1-2,5-6,10,12,16H,3-4,7-9H2.
What are the key properties of N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine has a molecular weight of 291.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 50960300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).