2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide

C15H18N4O2S — CID 91782331

IUPAC2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
SMILESCC1(C(=O)NCCc2csc(-c3cnccn3)n2)CCCO1
InChIInChI=1S/C15H18N4O2S/c1-15(4-2-8-21-15)14(20)18-5-3-11-10-22-13(19-11)12-9-16-6-7-17-12/h6-7,9-10H,2-5,8H2,1H3,(H,18,20)
InChIKeyDQLLPAKTPQLJIM-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.83
Rot. Bonds5

About 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide

2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide (PubChem CID 91782331) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
PubChem CID91782331
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
SMILESCC1(C(=O)NCCc2csc(-c3cnccn3)n2)CCCO1
InChIInChI=1S/C15H18N4O2S/c1-15(4-2-8-21-15)14(20)18-5-3-11-10-22-13(19-11)12-9-16-6-7-17-12/h6-7,9-10H,2-5,8H2,1H3,(H,18,20)
InChIKeyDQLLPAKTPQLJIM-UHFFFAOYSA-N
XLogP1.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
CID 126432610
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111446165
(2S)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429268
(2R)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429271
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
2,4-dimethyl-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
CID 110267606
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91789807
1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 91773021
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methyloxolane-2-carboxamide
CID 126446991
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide (CID 91782331) is 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide is CC1(C(=O)NCCc2csc(-c3cnccn3)n2)CCCO1.
What is the InChIKey of 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is DQLLPAKTPQLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-15(4-2-8-21-15)14(20)18-5-3-11-10-22-13(19-11)12-9-16-6-7-17-12/h6-7,9-10H,2-5,8H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide?
2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 91782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).