2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

C14H18N4O2S — CID 126826610

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESCc1nc(CC(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)c(C)s1
InChIInChI=1S/C14H18N4O2S/c1-8-12(16-9(2)21-8)7-13(19)17-10-4-6-20-14(10)11-3-5-15-18-11/h3,5,10,14H,4,6-7H2,1-2H3,(H,15,18)(H,17,19)/t10-,14-/m1/s1
InChIKeyBKKKLQOGBURBCD-QMTHXVAHSA-N
MW306.39 g/mol
LogP1.67
Rot. Bonds4

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (PubChem CID 126826610) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
PubChem CID126826610
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESCc1nc(CC(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)c(C)s1
InChIInChI=1S/C14H18N4O2S/c1-8-12(16-9(2)21-8)7-13(19)17-10-4-6-20-14(10)11-3-5-15-18-11/h3,5,10,14H,4,6-7H2,1-2H3,(H,15,18)(H,17,19)/t10-,14-/m1/s1
InChIKeyBKKKLQOGBURBCD-QMTHXVAHSA-N
XLogP1.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (CID 126826610) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is Cc1nc(CC(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The InChIKey is BKKKLQOGBURBCD-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-12(16-9(2)21-8)7-13(19)17-10-4-6-20-14(10)11-3-5-15-18-11/h3,5,10,14H,4,6-7H2,1-2H3,(H,15,18)(H,17,19)/t10-,14-/m1/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 126826610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).