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

C14H17N3S2 — CID 50972952

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESc1cncc(-c2nc(CCNC3CCSC3)cs2)c1
InChIInChI=1S/C14H17N3S2/c1-2-11(8-15-5-1)14-17-13(10-19-14)3-6-16-12-4-7-18-9-12/h1-2,5,8,10,12,16H,3-4,6-7,9H2
InChIKeyJGHDRDUUCDEUFM-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.84
Rot. Bonds5

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

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 50972952) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
PubChem CID50972952
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESc1cncc(-c2nc(CCNC3CCSC3)cs2)c1
InChIInChI=1S/C14H17N3S2/c1-2-11(8-15-5-1)14-17-13(10-19-14)3-6-16-12-4-7-18-9-12/h1-2,5,8,10,12,16H,3-4,6-7,9H2
InChIKeyJGHDRDUUCDEUFM-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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Related Compounds

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
N-(2-pyridin-3-ylethyl)thian-3-amine
CID 62871449
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 5310371
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110305204
(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide
CID 125165412
6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 91765071
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 110624969
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine (CID 50972952) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine is c1cncc(-c2nc(CCNC3CCSC3)cs2)c1.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is JGHDRDUUCDEUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-2-11(8-15-5-1)14-17-13(10-19-14)3-6-16-12-4-7-18-9-12/h1-2,5,8,10,12,16H,3-4,6-7,9H2.
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
N-[2-(2-pyridin-3-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-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 50972952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).