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

C15H23N5O4S — CID 95136668

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)s1
InChIInChI=1S/C15H23N5O4S/c1-23-10-13-17-18-15(25-13)16-12(21)9-19-4-6-20(7-5-19)14(22)11-3-2-8-24-11/h11H,2-10H2,1H3,(H,16,18,21)/t11-/m0/s1
InChIKeyRWRSISATHCDUPM-NSHDSACASA-N
MW369.45 g/mol
LogP-0.05
Rot. Bonds6

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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 95136668) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID95136668
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)s1
InChIInChI=1S/C15H23N5O4S/c1-23-10-13-17-18-15(25-13)16-12(21)9-19-4-6-20(7-5-19)14(22)11-3-2-8-24-11/h11H,2-10H2,1H3,(H,16,18,21)/t11-/m0/s1
InChIKeyRWRSISATHCDUPM-NSHDSACASA-N
XLogP-0.05
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197278
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 95783517
2-[[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9209065
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
methyl 6-methyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22197231
2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22197271
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]acetamide
CID 95707074
2-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50949830
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 91842233
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide (CID 95136668) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide is COCc1nnc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is RWRSISATHCDUPM-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-23-10-13-17-18-15(25-13)16-12(21)9-19-4-6-20(7-5-19)14(22)11-3-2-8-24-11/h11H,2-10H2,1H3,(H,16,18,21)/t11-/m0/s1.
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 369.45 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95136668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).