N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

C12H8ClN3S2 — CID 2214576

IUPACN-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C12H8ClN3S2/c13-8-3-4-11(14-6-8)16-12-15-9(7-18-12)10-2-1-5-17-10/h1-7H,(H,14,15,16)
InChIKeyOSWCDUQDLSLAGR-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.66
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 2214576) has the molecular formula C12H8ClN3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID2214576
Molecular FormulaC12H8ClN3S2
Molecular Weight293.80 g/mol
Exact Mass292.98
IUPAC NameN-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C12H8ClN3S2/c13-8-3-4-11(14-6-8)16-12-15-9(7-18-12)10-2-1-5-17-10/h1-7H,(H,14,15,16)
InChIKeyOSWCDUQDLSLAGR-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 2214576) is N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-c3cccs3)cs2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is OSWCDUQDLSLAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S2/c13-8-3-4-11(14-6-8)16-12-15-9(7-18-12)10-2-1-5-17-10/h1-7H,(H,14,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2214576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).