N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

C17H13ClFN3OS2 — CID 4966932

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H13ClFN3OS2/c1-10(16(23)22-15-7-4-12(18)8-20-15)25-17-21-14(9-24-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,20,22,23)
InChIKeyWNAAAKIYGROGET-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.12
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (PubChem CID 4966932) has the molecular formula C17H13ClFN3OS2 and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
PubChem CID4966932
Molecular FormulaC17H13ClFN3OS2
Molecular Weight393.90 g/mol
Exact Mass393.02
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H13ClFN3OS2/c1-10(16(23)22-15-7-4-12(18)8-20-15)25-17-21-14(9-24-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,20,22,23)
InChIKeyWNAAAKIYGROGET-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.12
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)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (CID 4966932) is N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is CC(Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The InChIKey is WNAAAKIYGROGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS2/c1-10(16(23)22-15-7-4-12(18)8-20-15)25-17-21-14(9-24-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,20,22,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide has a molecular weight of 393.90 g/mol, XLogP of 5.12, 5 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)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 4966932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).