3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide

C15H20N4O2S — CID 128998461

IUPAC3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H20N4O2S/c1-8-11(7-22-18-8)15(20)16-12-5-6-21-14(12)13-9(2)17-19(4)10(13)3/h7,12,14H,5-6H2,1-4H3,(H,16,20)/t12-,14-/m0/s1
InChIKeyGSRGRJLXTOIGET-JSGCOSHPSA-N
MW320.42 g/mol
LogP2.06
Rot. Bonds3

About 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide

3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide (PubChem CID 128998461) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide
PubChem CID128998461
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H20N4O2S/c1-8-11(7-22-18-8)15(20)16-12-5-6-21-14(12)13-9(2)17-19(4)10(13)3/h7,12,14H,5-6H2,1-4H3,(H,16,20)/t12-,14-/m0/s1
InChIKeyGSRGRJLXTOIGET-JSGCOSHPSA-N
XLogP2.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(14-Ethyl-2-oxo-7-oxa-3,12,13-triazabicyclo[9.3.0]tetradeca-1(11),13-dien-12-yl)propyl 5-methyl-1,2-thiazole-4-carboxylate
CID 155203706
3-(14-Ethyl-2-oxo-7-oxa-3,12,13-triazabicyclo[9.3.0]tetradeca-1(11),13-dien-12-yl)propyl 1,2-thiazole-4-carboxylate
CID 155203732
4-(14-Ethyl-2-oxo-7-oxa-3,12,13-triazabicyclo[9.3.0]tetradeca-1(11),13-dien-12-yl)butyl 1,2-thiazole-4-carboxylate
CID 166654248
N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
CID 128972864
4-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiophene-3-carboxamide
CID 128972870
4-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
CID 128972882
1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide
CID 128974767
N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
CID 128991626
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-ethylthiadiazole-5-carboxamide
CID 128997661
4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
CID 129001553
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide
CID 129003489
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methylthiophene-3-carboxamide
CID 129003497

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide (CID 128998461) is 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C.
What is the InChIKey of 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is GSRGRJLXTOIGET-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-8-11(7-22-18-8)15(20)16-12-5-6-21-14(12)13-9(2)17-19(4)10(13)3/h7,12,14H,5-6H2,1-4H3,(H,16,20)/t12-,14-/m0/s1.
What are the key properties of 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 128998461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).