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

C13H15N5O2S — CID 1446995

IUPAC(2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCc1cnc(-c2nnc(N(C)C(=O)[C@@H]3CCCO3)s2)cn1
InChIInChI=1S/C13H15N5O2S/c1-8-6-15-9(7-14-8)11-16-17-13(21-11)18(2)12(19)10-4-3-5-20-10/h6-7,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyJFXIUNONSAETHV-JTQLQIEISA-N
MW305.36 g/mol
LogP1.45
Rot. Bonds3

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

(2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 1446995) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID1446995
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name(2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCc1cnc(-c2nnc(N(C)C(=O)[C@@H]3CCCO3)s2)cn1
InChIInChI=1S/C13H15N5O2S/c1-8-6-15-9(7-14-8)11-16-17-13(21-11)18(2)12(19)10-4-3-5-20-10/h6-7,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyJFXIUNONSAETHV-JTQLQIEISA-N
XLogP1.45
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1446968
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
(2R)-N-(6-chloro-2-pyridinyl)-N-methyloxolane-2-carboxamide
CID 126837047
N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide
CID 138009565
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
N-cyclobutyl-N-methyloxolane-2-carboxamide
CID 127002329
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
N-methyl-N-(1-methylbenzimidazol-5-yl)oxolane-2-carboxamide
CID 110869282
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyloxolane-2-carboxamide
CID 126917260
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 82176865

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 1446995) is (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is Cc1cnc(-c2nnc(N(C)C(=O)[C@@H]3CCCO3)s2)cn1.
What is the InChIKey of (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is JFXIUNONSAETHV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-6-15-9(7-14-8)11-16-17-13(21-11)18(2)12(19)10-4-3-5-20-10/h6-7,10H,3-5H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
(2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 1446995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).