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

C17H14ClN3OS2 — CID 15945146

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H14ClN3OS2/c1-11(16(22)21-15-8-7-13(18)9-19-15)24-17-20-14(10-23-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,21,22)
InChIKeyMDEMRYDYPUHBFD-UHFFFAOYSA-N
MW375.91 g/mol
LogP4.98
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 15945146) has the molecular formula C17H14ClN3OS2 and a molecular weight of 375.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID15945146
Molecular FormulaC17H14ClN3OS2
Molecular Weight375.91 g/mol
Exact Mass375.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H14ClN3OS2/c1-11(16(22)21-15-8-7-13(18)9-19-15)24-17-20-14(10-23-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,21,22)
InChIKeyMDEMRYDYPUHBFD-UHFFFAOYSA-N
XLogP4.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 54.98
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-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 15945146) is N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is CC(Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is MDEMRYDYPUHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS2/c1-11(16(22)21-15-8-7-13(18)9-19-15)24-17-20-14(10-23-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 375.91 g/mol, XLogP of 4.98, 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-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 15945146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).