N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

C15H20N4O2S — CID 111596698

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1csc(-c2cnccn2)n1
InChIInChI=1S/C15H20N4O2S/c1-4-19(10-15(2,3)21)13(20)7-11-9-22-14(18-11)12-8-16-5-6-17-12/h5-6,8-9,21H,4,7,10H2,1-3H3
InChIKeyUKWDIJZDOPZKAP-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.76
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 111596698) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID111596698
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1csc(-c2cnccn2)n1
InChIInChI=1S/C15H20N4O2S/c1-4-19(10-15(2,3)21)13(20)7-11-9-22-14(18-11)12-8-16-5-6-17-12/h5-6,8-9,21H,4,7,10H2,1-3H3
InChIKeyUKWDIJZDOPZKAP-UHFFFAOYSA-N
XLogP1.76
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111596280
N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 166260992
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122143636
6-tert-butyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 91779297
N-propyl-2-pyrazin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530984
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111446165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (CID 111596698) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is CCN(CC(C)(C)O)C(=O)Cc1csc(-c2cnccn2)n1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UKWDIJZDOPZKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-19(10-15(2,3)21)13(20)7-11-9-22-14(18-11)12-8-16-5-6-17-12/h5-6,8-9,21H,4,7,10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 111596698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).