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

C9H13N3OS2 — CID 47144884

IUPACN-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCC2CC2)s1
InChIInChI=1S/C9H13N3OS2/c1-6-11-12-9(15-6)14-5-8(13)10-4-7-2-3-7/h7H,2-5H2,1H3,(H,10,13)
InChIKeyPFYBVUIWRLMNJG-UHFFFAOYSA-N
MW243.36 g/mol
LogP1.46
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 47144884) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID47144884
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC NameN-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCC2CC2)s1
InChIInChI=1S/C9H13N3OS2/c1-6-11-12-9(15-6)14-5-8(13)10-4-7-2-3-7/h7H,2-5H2,1H3,(H,10,13)
InChIKeyPFYBVUIWRLMNJG-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 47144884) is N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCC2CC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PFYBVUIWRLMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-6-11-12-9(15-6)14-5-8(13)10-4-7-2-3-7/h7H,2-5H2,1H3,(H,10,13).
What are the key properties of N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 243.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 47144884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).