N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C14H21N5O3S — CID 22197278

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nnc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C14H21N5O3S/c1-10-16-17-14(23-10)15-12(20)9-18-4-6-19(7-5-18)13(21)11-3-2-8-22-11/h11H,2-9H2,1H3,(H,15,17,20)
InChIKeyLHHYSZBSVIQHIT-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.11
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 22197278) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID22197278
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nnc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C14H21N5O3S/c1-10-16-17-14(23-10)15-12(20)9-18-4-6-19(7-5-18)13(21)11-3-2-8-22-11/h11H,2-9H2,1H3,(H,15,17,20)
InChIKeyLHHYSZBSVIQHIT-UHFFFAOYSA-N
XLogP0.11
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 95136668
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 95783517
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
2-[[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9209065
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22197271
ethyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 6467490

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 22197278) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is Cc1nnc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is LHHYSZBSVIQHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-10-16-17-14(23-10)15-12(20)9-18-4-6-19(7-5-18)13(21)11-3-2-8-22-11/h11H,2-9H2,1H3,(H,15,17,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22197278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).