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

C14H18N4O2S — CID 129003489

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C14H18N4O2S/c1-8-11(7-21-17-8)14(19)16-12-4-5-20-13(12)10-6-15-18(3)9(10)2/h6-7,12-13H,4-5H2,1-3H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyIXKQZBWMOQRRFO-QWHCGFSZSA-N
MW306.39 g/mol
LogP1.75
Rot. Bonds3

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

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 129003489) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID129003489
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C14H18N4O2S/c1-8-11(7-21-17-8)14(19)16-12-4-5-20-13(12)10-6-15-18(3)9(10)2/h6-7,12-13H,4-5H2,1-3H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyIXKQZBWMOQRRFO-QWHCGFSZSA-N
XLogP1.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide (CID 129003489) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is IXKQZBWMOQRRFO-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-11(7-21-17-8)14(19)16-12-4-5-20-13(12)10-6-15-18(3)9(10)2/h6-7,12-13H,4-5H2,1-3H3,(H,16,19)/t12-,13+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 129003489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).