N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C10H9ClN4OS2 — CID 974450

IUPACN-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1
InChIInChI=1S/C10H9ClN4OS2/c1-6-14-15-10(18-6)17-5-9(16)13-8-3-2-7(11)4-12-8/h2-4H,5H2,1H3,(H,12,13,16)
InChIKeyYWSAAZRHBSEFDM-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.63
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 974450) has the molecular formula C10H9ClN4OS2 and a molecular weight of 300.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID974450
Molecular FormulaC10H9ClN4OS2
Molecular Weight300.80 g/mol
Exact Mass299.99
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1
InChIInChI=1S/C10H9ClN4OS2/c1-6-14-15-10(18-6)17-5-9(16)13-8-3-2-7(11)4-12-8/h2-4H,5H2,1H3,(H,12,13,16)
InChIKeyYWSAAZRHBSEFDM-UHFFFAOYSA-N
XLogP2.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 974450) is N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is YWSAAZRHBSEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS2/c1-6-14-15-10(18-6)17-5-9(16)13-8-3-2-7(11)4-12-8/h2-4H,5H2,1H3,(H,12,13,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 300.80 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 974450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).