N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide

C12H17N3O3S — CID 651149

IUPACN-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)c1nnc(C2CCOC2)s1
InChIInChI=1S/C12H17N3O3S/c1-15(11(16)9-3-5-18-7-9)12-14-13-10(19-12)8-2-4-17-6-8/h8-9H,2-7H2,1H3
InChIKeyDMTPDNQYPSWKOQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide

N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide (PubChem CID 651149) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
PubChem CID651149
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)c1nnc(C2CCOC2)s1
InChIInChI=1S/C12H17N3O3S/c1-15(11(16)9-3-5-18-7-9)12-14-13-10(19-12)8-2-4-17-6-8/h8-9H,2-7H2,1H3
InChIKeyDMTPDNQYPSWKOQ-UHFFFAOYSA-N
XLogP1.04
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
CID 94191622
(3S)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496983
(3R)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496982
N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide
CID 34256873
3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 166306951
1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
CID 130503595
N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79381210
3-amino-4-[methyl(oxolane-3-carbonyl)amino]benzoic acid
CID 63117684
(3S)-oxolane-3-carboxamide
CID 67048684
N-[(3-carbamothioylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 55141744
3-[3-[[methyl(oxolane-3-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907362
N-methyloxane-4-carbohydrazide
CID 116845691

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide (CID 651149) is N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide is CN(C(=O)C1CCOC1)c1nnc(C2CCOC2)s1.
What is the InChIKey of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The InChIKey is DMTPDNQYPSWKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15(11(16)9-3-5-18-7-9)12-14-13-10(19-12)8-2-4-17-6-8/h8-9H,2-7H2,1H3.
What are the key properties of N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 651149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).