N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide

C15H11ClFN3OS2 — CID 118859489

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCF)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H11ClFN3OS2/c16-12-15(23-13(19-12)10-3-1-6-18-9-10)20(7-5-17)14(21)11-4-2-8-22-11/h1-4,6,8-9H,5,7H2
InChIKeyXULQOZHVDUIFMB-UHFFFAOYSA-N
MW367.86 g/mol
LogP4.54
Rot. Bonds5

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide (PubChem CID 118859489) has the molecular formula C15H11ClFN3OS2 and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide
PubChem CID118859489
Molecular FormulaC15H11ClFN3OS2
Molecular Weight367.86 g/mol
Exact Mass367.00
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCF)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C15H11ClFN3OS2/c16-12-15(23-13(19-12)10-3-1-6-18-9-10)20(7-5-17)14(21)11-4-2-8-22-11/h1-4,6,8-9H,5,7H2
InChIKeyXULQOZHVDUIFMB-UHFFFAOYSA-N
XLogP4.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide (CID 118859489) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(CCF)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide?
The InChIKey is XULQOZHVDUIFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3OS2/c16-12-15(23-13(19-12)10-3-1-6-18-9-10)20(7-5-17)14(21)11-4-2-8-22-11/h1-4,6,8-9H,5,7H2.
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2-fluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 118859489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).