2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide

C16H22N4O2S — CID 136586654

IUPAC2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Cc1ncc(C(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)s1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)8-13-17-9-12(23-13)15(21)19-10-5-7-22-14(10)11-4-6-18-20-11/h4,6,9-10,14H,5,7-8H2,1-3H3,(H,18,20)(H,19,21)/t10-,14-/m1/s1
InChIKeyZAQNLBBAGJNYFN-QMTHXVAHSA-N
MW334.45 g/mol
LogP2.71
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide

2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 136586654) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID136586654
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Cc1ncc(C(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)s1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)8-13-17-9-12(23-13)15(21)19-10-5-7-22-14(10)11-4-6-18-20-11/h4,6,9-10,14H,5,7-8H2,1-3H3,(H,18,20)(H,19,21)/t10-,14-/m1/s1
InChIKeyZAQNLBBAGJNYFN-QMTHXVAHSA-N
XLogP2.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
CID 157037440
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 119459660
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904
2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 136582764
(2R,3R)-N-(9,9-dimethyl-5,6,7,8-tetrahydrobenzo[7]annulen-6-yl)-2-(1H-pyrazol-5-yl)oxolan-3-amine
CID 167987751
3-[2-[[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]amino]ethyl]quinazolin-4-one
CID 167827892
3-ethyl-N-[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]pyridine-4-carboxamide
CID 120965701
2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 10106577
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
2-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737205
2-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120577393

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide (CID 136586654) is 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide is CC(C)(C)Cc1ncc(C(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)s1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZAQNLBBAGJNYFN-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-16(2,3)8-13-17-9-12(23-13)15(21)19-10-5-7-22-14(10)11-4-6-18-20-11/h4,6,9-10,14H,5,7-8H2,1-3H3,(H,18,20)(H,19,21)/t10-,14-/m1/s1.
What are the key properties of 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide?
2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136586654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).