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

C12H22N4OS2 — CID 47115257

IUPACN-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)NC(C)CCC)s1
InChIInChI=1S/C12H22N4OS2/c1-4-6-9(3)14-10(17)8-18-12-16-15-11(19-12)13-7-5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyRDFBSGUDEKSOKC-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.76
Rot. Bonds9

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

N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 47115257) has the molecular formula C12H22N4OS2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID47115257
Molecular FormulaC12H22N4OS2
Molecular Weight302.47 g/mol
Exact Mass302.12
IUPAC NameN-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)NC(C)CCC)s1
InChIInChI=1S/C12H22N4OS2/c1-4-6-9(3)14-10(17)8-18-12-16-15-11(19-12)13-7-5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyRDFBSGUDEKSOKC-UHFFFAOYSA-N
XLogP2.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18194117
N-[1-(4-chlorophenyl)ethyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78811979
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 40629979
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 2103753
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 16500089
propan-2-yl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 37042715
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
N,N-diethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115255
N-(4-propan-2-ylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8909930
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18194114
(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378718

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 47115257) is N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCCNc1nnc(SCC(=O)NC(C)CCC)s1.
What is the InChIKey of N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is RDFBSGUDEKSOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS2/c1-4-6-9(3)14-10(17)8-18-12-16-15-11(19-12)13-7-5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 302.47 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 47115257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).