N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C9H15N3OS — CID 1086879

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(C)=O)s1
InChIInChI=1S/C9H15N3OS/c1-4-7(5-2)8-11-12-9(14-8)10-6(3)13/h7H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyKEUUZQVZXRTAER-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.40
Rot. Bonds4

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1086879) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1086879
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(C)=O)s1
InChIInChI=1S/C9H15N3OS/c1-4-7(5-2)8-11-12-9(14-8)10-6(3)13/h7H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyKEUUZQVZXRTAER-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757
2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110908064
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 119266054
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47277003
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 1086879) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(C)=O)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KEUUZQVZXRTAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-4-7(5-2)8-11-12-9(14-8)10-6(3)13/h7H,4-5H2,1-3H3,(H,10,12,13).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 213.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1086879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).